Month: March 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Hydrogenation of pyridine and α-picoline over Raney nickel-aluminum catalyst》. Authors are Shuikin, N. I.; Brusnikina, V. M..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Formula: C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Hydrogenation of pyridine at 200° in a flow system over Raney Ni-Al catalyst gave piperidine, its azeotropic mixture with H2O (b739 90-2°, n20D 1.4320, d20 0.9277), and 2-methylpyridine. At low feed rate there was also formed some 3-methylpyrrole, 10% 2-propylpiperidine, and possibly some N-cyclopentylpiperidine. Hydrogenation of 2-picoline gave 2-pipecoline and some 3-methylpyrrole.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.Synthetic Route of C5H7N.Buurman, P.; Nierop, K. G. J.; Kaal, J.; Senesi, N. published the article 《Analytical pyrolysis and thermally assisted hydrolysis and methylation of EUROSOIL humic acid samples – A key to their source》 about this compound( cas:616-43-3 ) in Geoderma. Keywords: humic acid Eurosoil aliphaticity lignin. Let’s learn more about this compound (cas:616-43-3).

Humic acids have been widely investigated by spectroscopic methods, especially NMR and FTIR, and they are known to show significant differences according to their origin. Low resolution methods such as NMR and FTIR, however cannot easily distinguish different input sources or establish relations between SOM chem. and vegetation or land use in general. High resolution methods, such as anal. pyrolysis and pyrolysis combined with methylation do offer such possibilities. Therefore, HAs from five reference soils called the Eurosoils, including a Vertic Cambisol (E1, Italy), a Rendzina (E2, Greece), a Dystic Cambisol (E3, Great Britain), an Orthic Luvisol (E4, France) and an Orthic Podzol (E5, Germany), that were previously characterized a.o. by NMR, FTIR and ESR, were also analyzed by pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and thermally assisted hydrolysis and methylation (THM) and subsequent anal. by GC/MS. The Orthic Podzol sample showed the largest aliphaticity, and the strongest degradation of aliphatics and lignin. The Dystric Cambisol featured the least decomposed HA, which was reflected by a large content of long-chain alkanes, and little lignin degradation Both the Dystric Cambisol and the Orthic Luvisol HAs contained a significant amount of microbial organic matter. Polyaromatics, which indicate the presence of charred material, were most abundant in the Vertic Cambisol and the Podzol HAs and lowest in the Dystric Cambisol and the Rendzina HAs. THM was able to distinguish between the various vegetations/land uses. Although quantifications by NMR and py-GC/MS are essentially different, the general results largely coincided. NMR appears to underestimate aromaticity and overestimate aliphaticity, but a mol. mixing model yielded reasonable correlations between NMR and pyrolysis data. Classification by degradation state’ based on py-GC/MS largely coincided with acidity determined by titration, but FTIR data did not coincide. Py-GC/MS, with its much larger resolution, is a better tool to distinguish effects of vegetation, microbial input, and degradation HA’s produce the same variety of compounds upon pyrolysis as total SOM extracts and are therefore chem. not more simple than SOM. HA chem., however can be understood in the light of land use history and SOM dynamics.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Related Products of 3685-23-2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Synthesis and biological study of bis(2-chloroethyl) sulfides containing carboxylic groups. 3. Cyclohexylamides of 3(or 4)-chloro-4(or 3)-[(2-chloroethyl)thio]butanoic acids. Author is Rasteikiene, L.; Vektariene, A.; Pociute, N.; Mikulskiene, G.; Valaviciene, J..

Cyclohexylamides Cl(CH2)2SCH(CH2Cl)CH2CONHC6H10R and Cl(CH2)2SCH2CHClCH2CONHC6H10R-4 (C6H10 = cyclohexane moiety, R = H, cis- or trans-CO2H, or -CH2CO2H, cis-β-substituted-DL-Ac-β-Ala-OH) were prepared by addition reaction of butenamides with Cl(CH2)2SCl. The biol. assay shows that the products are less toxic than analogous acids or phenylamides, whereas their antitumor effect remains high.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《A suitable solvent for molecular-weight determinations according to Rast》. Authors are Wendt, Gerhard.The article about the compound:cis-4-Aminocyclohexane carboxylic acidcas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O).Related Products of 3685-23-2. Through the article, more information about this compound (cas:3685-23-2) is conveyed.

The lactam (I) of cis-hexahydro-p-aminobenzoic acid (II), m. 196°, results in 3.3-g. yield from 5 g. of the mixture of cis- and trans-II. For the separation of the 2 isomers of II, the hydrogenation product from 4 g. of p-H2NC6H4CO2H in 20 cc. H2O is treated with 180 cc. absolute EtOH to precipitate 1.9 g. crude cis-II, 2 crystallizations of which from dilute EtOH give the pure acid, m. 304-5°, sublimes 210-20°/6 × 10-4 mm.; contrary to the observation of Orthner and Hein (C. A. 27, 4776) the acid melts before sublimation; their transformation of the cis to the trans acid could not be verified. Addition of 400 cc. ether to the filtrate from the cis acid gives (standing 24 hrs.) 1.9 g. crude trans acid; this is purified by solution in 10 cc. H2O and precipitation with 125 cc. absolute EtOH; it m. 186-8° (decomposition), sublimes 210-20°/3 × 10-4 mm. I is a suitable substitute for camphor in the mol.-weight determination according to Rast. The m.-p. lowering constant is 40 (the same as camphor); the molar heat of melting is 1.37 kg.-cal. (for camphor 1.55 kg.-cal.). Because of the solubility in I, it is specially suitable for the determination of the mol. weights of di- and tripeptides (e. g., Me p-aminobenzoyl-p-aminobenzoate, Me p-nitrobenzoyl-p-aminobenzoyl-p-aminobenzoate, leucylglycine, glycylleucine), disaccharides (e. g., saccharose and cellobiose) and nucleosides (e. g., uridine and adenosine), most of which are insoluble in camphor. However, certain compounds (uric acid, creatine, glycylglycine) are insoluble in I.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called One-dimensional single-helix coordination polymer self-assembled by a crown-ether appended-N-heteroacene radical anion, published in 2019, which mentions a compound: 56413-95-7, mainly applied to heteroacene crown ether radical anion preparation crystal mol structure; dicyanopentaoxacyclopentadecinopyrazinoquinoxaline preparation crystal mol structure reaction alkali tetraphenylborate, Category: chiral-oxygen-ligands.

A crown-ether appended N-heteroacene 1 was reduced in the presence of NaBPh4 to the radical anion 2 by accepting one electron transferred from both the cathode and BPh4- as a reductant. The obtained radical anion 2 can function as a radical anion ligand to bridge two sodium ions to self-assemble into one-dimensional helical coordination polymers.

Here is a brief introduction to this compound(56413-95-7)Category: chiral-oxygen-ligands, if you want to know about other compounds related to this compound(56413-95-7), you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The polarographic reducibility of some alkylpyrroles》. Authors are Scaramelli, Giuseppe.The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 616-43-3. Through the article, more information about this compound (cas:616-43-3) is conveyed.

In addition to pyrrole itself, the following derivatives were found to be polarographically nonreducible: 1- and 2-Me, 1-allyl, 2,4-di-Me and 2,5-di-Me, 3-methyl-4-ethyl, 2,3,5-trimethyl, 2,5-dimethyl-1-ethyl, 2,4-dimethyl-3-ethyl, 2,4-dimethyl-3-propyl, 2,4-dimethyl-3-ethyl-1-carbethoxy, and 2,4-dimethyl-3,5-dicarbethoxy.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Practical synthesis of thieno[3,2-b]pyrrole》. Authors are Matteson, Donald S.; Snyder, H. S..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 3-Methyl-1H-pyrrole. Through the article, more information about this compound (cas:616-43-3) is conveyed.

cf. C.A. 51, 16422a. KCNS(200 g.) in 250 ml. MeOH at -75° (Dry Ice-Me2CO bath) stirred with dropwise addition of 159.6 g. Br in 125 ml. MeOH at -75° and the mixture kept below -60°, the thiocyanogen solution cooled to -75° and treated rapidly with 67.1 g. redistilled pyrrole in 250 ml. MeOH at -75° and the mixture stirred (with cooling bath removed) until the temperature rose to -25°, poured onto 2 kg. crushed ice and stirred with 300 g. NaCl, filtered through a 5-6-in. Buchner funnel and the ice and solids washed freely with H2O, the crude 3-thiocyanopyrrole (I) dried in vacuo and clarified in 100 ml. CH2Cl2 and 500 ml. methylcyclohexane (MgSO4 and Darco) at 40°, the colorless solution chilled and seeded, kept 17 hrs. at 0°, and chilled to -20° gave 62 g. I, m. 40-4°, infrared spectrum identical with that of I prepared from Cu(CNS)2 and pyrrole. I stains the skin deep red and may cause burning or itching sensations. The use of rubber gloves is mandatory and contacted areas should be washed immediately with soap and H2O and treated with 3% H2O2. Pyrrole (0.71 g.) in 75 ml. MeOH stirred at 0-5° (N atm.) with portionwise addition of 0.2 mole Cu(CNS)2 [on basis of (NCS)2 analysis] in a few min. and stirring continued 50 min. at 0-5°, the mixture filtered and the CuCNS washed with 50 ml. MeOH, the filtrate and washings poured onto 300 g. crushed ice and 100 g. NaCl added, the mixture filtered and the solids extracted with 225 ml. methylcyclohexane, the solution treated with Darco and cooled, seeded, and kept 17 hrs. at 0° gave 5.83 g. I, m. 41.5-43° (methylcyclohexane). As a route to 3-(alkylthio)pyrroles, attempts to isolate 3-mercaptopyrrole (II), 3-RSC4H4N (R = H) (IIa), were made but abandoned when a more promising way was found. Mg (1.87 g.) in 125 ml. MeOH (N atm.) at -20° kept 1 hr. with 6.2 g. I and the mixture poured into 500 ml. H2O, 200 ml. Et2O, and sufficient solid CO2 to dissolve the precipitated Mg(OH)2, the aqueous phase extracted with Et2O and the dried Et2O solutions evaporated in vacuo, the residue sublimed at 75°/0.1 mm. and the product (6.8 g.) recrystallized from PhMe, resublimed, recrystallized from dilute MeOH, and resublimed at 55-65°/0.1 mm. gave S-3-pyrrolyl O-Me thioimidocarbonate, II [R = C(:NH)OMe], m. 77-80°. I(6.21 g.) and 8.5 g. MeI in 50 ml. MeOH at -20° (N atm.) stirred with dropwise addition in 10 min. of 7.9 g. 85% KOH in 20 ml. H2O and 20 ml. MeOH and stirring continued 1.5 hrs. without cooling, the excess alkali neutralized with solid CO2 and the mixture poured into 500 ml. H2O containing 100 g. NaCl, the mixture extracted 3 times with 50 ml. CH2Cl2 and the dried solution (K2CO3) evaporated in vacuo, the residue distilled, and the product (5.1 g.) redistilled gave II (R = Me) (IIb), b12-13 88-9°. The excellent (90%) yield of IIb showed that the extremely unstable anion of IIa exists long enough to displace halide ions from a moderately active alkyl halide. I (62.1 g.) and 83.5 g. BrCH2CO2H in 500 ml. MeOH at -50° stirred rapidly with addition of 123 g. 85% KOH in 500 ml. 50% dilute MeOH in 10 min. and stirring continued 2 hrs. without cooling, the mixture brought to pH 8 with solid CO2 and the solvent evaporated in vacuo (warm H2O bath to avoid bumping), the solid residue taken up in 500 ml. CH2Cl2 and the mixture stirred with controlled addition of 375 ml. ice-cold 4N HCl, the aqueous phase extracted twice with 250 ml. CH2Cl2 and the combined dried CH2Cl2 solutions treated with Darco and filtered, the filtrate saturated with excess dry NH3, and filtered gave 78 g. II (R = CH2CO2NH4) (IIc), m. 127-33°, purified by treatment of IIc with N HCl and extraction with CH2Cl2, dehydration over MgSO4, and crystallization by treatment with anhydrous NH3 to give IIc, m. 125-33°; Ca salt-2H2O, m. 112-20° (decomposition). IIc in MeOH refluxed 20 hrs. with ZnCl2 and the product purified by extraction followed by distillation in a sublimation apparatus at 80°/0.1 mm. gave the liquid ester II (R = CH2CO2Me). BrCH2CH(OEt)2 failed to react with I under the above conditions and active alkyl halides such as PhCOCH2Br, BrCH2CO2Et, and ClCH2COCO2H appeared to be attacked by OH- more rapidly than was I and also failed to give sulfides. IIc (17.42 g.) and 250 ml. CH2Cl2 shaken with 30 ml. ice-cold 6N HCl and the aqueous phase extracted twice with 250 ml. CH2Cl2, the combined CH2Cl2 extracts dried (MgSO4) and treated with Darco, filtered and the filtrates combined with the 150 ml. CH2Cl2 washings of the Mg2SO4, the CH2Cl2 solution added dropwise in 50 min. to the most vigorously agitated region of 400 g. well-stirred polyphosphoric acid at 120-3° with free vaporization of the CH2Cl2, the mixture cooled below 100° and added slowly with stirring to 1200 ml. H2O and 750 ml. EtOAc, the stirring continued 30 min. and the aqueous layer extracted with 250 ml. EtOAc, the aqueous layer saturated with 300 g. NaCl and extracted twice with 250 ml. EtOAc, the emulsion layer neutralized with Na2CO3 and warmed on a steam bath prior to a 3-fold extraction with 100 ml. portions of EtOAc, the combined EtOAc solutions washed with aqueous NaHCO3 and dried over MgSO4, evaporated in vacuo, and the residue sublimed twice at 120°/0.1 mm. gave 5.0 g. product, m. 183-8.5°, purified by sublimation twice, recrystallization twice from aqueous HCONMe2 and sublimation twice, treatment with Darco, and recrystallization from MeOH to give 2H,3H-thieno[3,2-b]pyrrol-3-one (III), m. 187-90°, λ 330, 303 (min.), 279, 236 (min.) mμ (ε 7400, 3900, 16,000, 500, 95% alc.), ν 3140, 1635 cm.-1 (Nujol). III (0.28 g.) in 35 ml. 95% alc. refluxed 1 hr. with 2.5 g. Raney Ni (W6) and the solution filtered, the residue washed with alc. and the alc. solutions evaporated in vacuo, the residue sublimed, and the product (0.06 g.) recrystallized from H2O gave 23 mg. 2-acetylpyrrole, m. 89-91°, identical with that prepared from C4H4NMgBr and AcCl. III (1.39 g.) and 1.5 g. NaBH4 in 50 ml. MeOH refluxed 16 hrs. under N and the mixture poured into 200 ml. 15% aqueous NaCl, extracted 3 times with 50 ml. CH2Cl2 and the dried extract evaporated, the residue sublimed at 6070°/0.1 mm., and the 0.76 g. product recrystallized from Et2O-C5H12 at -70° and resublimed 3 times gave thieno[3,2-b]pyrrole, m. 25-8°, λ 260, 233 (min.) mμ (ε 11,800, 4900, 95% alc.), infrared spectrum and that of a less pure sample synthesized from thiophene (cf. Snyder, et al., C.A. 51, 13846b) given.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile(SMILESS: N#CC1=NC(Cl)=C(Cl)N=C1C#N,cas:56413-95-7) is researched.Recommanded Product: cis-4-Aminocyclohexane carboxylic acid. The article 《Preparation of magnesium azaphthalocyanines by cyclotetramerization of S-substituted 4,5-disulfanylpyrazine-2,3-dicarbonitriles》 in relation to this compound, is published in Acta Chemica Scandinavica. Let’s take a look at the latest research on this compound (cas:56413-95-7).

Four novel S-substituted 4,5-disulfanylpyrazine-2,3-dicarbonitriles were obtained in a multistep synthesis from diaminomaleonitrile. Two of these dicarbonitriles, with Et or benzyl S-substituents, give pure Mg azaphthalocyanines in good yields when reacted with Mg propoxide in PrOH and dioxane. Aromatic S-substituents are less stable during the reaction conditions used for cyclizations, and product mixtures were obtained.

Here is a brief introduction to this compound(56413-95-7)Computed Properties of C6Cl2N4, if you want to know about other compounds related to this compound(56413-95-7), you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Cytotoxic T lymphocyte epitope analogues containing cis- or trans-4-aminocyclohexanecarboxylic acid residues.Recommanded Product: cis-4-Aminocyclohexane carboxylic acid.

In order to improve the immunotherapeutical potential of H-Cys-Leu-Gly-Gly-Leu-Leu-Thr-Met-Val-OH (CLG) peptide, an Epstein-Barr virus (EBV) subdominant epitope derived from the membrane protein LMP2, we have synthesized and tested CLG analogs containing cis- and/or trans-4-aminocyclohexanecarboxylic acid (ACCA) replacing Gly-Gly and/or Thr-Met dipeptide units. All pseudopeptides were tested for metabolic stability and for their capacity to bind HLA-A2 mols. and to sensitize target cells to lysis. All new compounds exhibited higher enzymic resistance compared to the original CLG and some trans-ACCA-derivatives were able to associate HLA-A2 and to efficiently stimulate CTL responses directed against the CLG natural epitope.

Here is a brief introduction to this compound(3685-23-2)Recommanded Product: cis-4-Aminocyclohexane carboxylic acid, if you want to know about other compounds related to this compound(3685-23-2), you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Product Details of 616-43-3. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about The radiation chemistry of some simple pyrroles.

Pyrrole, monomethylpyrroles, and 2,5-dimethylpyrrole were γ-irradiated. Gaseous, liquid and residual products were determined The products indicate that several types of reactions occur including ring rupture, cleavage of bonds external to the pyrrole ring, ring substitution, and intramol. rearrangement. A brief comparison is made among radiolysis, photolysis, mass spectral ionization, and pyrolysis reactions of pyrrole compounds

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate