Day: April 11, 2022

Electric Literature of C7H13NO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Synthesis of analogs of N-(2-chloroethyl)-N’-(trans-4-methylcyclohexyl)-N-nitrosourea for evaluation as anticancer agents. Author is Johnston, Thomas P.; McCaleb, George S.; Clayton, Sarah D.; Frye, Jerry L.; Krauth, Charles A.; Montgomery, John A..

Of several nitrosourea derivatives [X(CH2)2N(NO)CONHR (X = Cl, F; R = substituted cyclohexyl, 2-methyl-1,3-dithian-5-yl or its S, S, S’, S’-tetraoxide)] prepared and tested against murine leukemia L210 almost all were active, giving cure rates ≥50% at ≤LD10 doses. In 4 of the 5 fluoroethyl analogs activity was clearly inferior to the corresponding chloroethyl compounds Most of the more active analogs contained a 4-substituted cyclohexyl group. Activity in relation to structure, partition coefficient, and cis-trans isomerism is discussed.

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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 Synthesis and studies on photodynamic activity of new water-soluble azaphthalocyanines, published in 2003-02-20, which mentions a compound: 56413-95-7, mainly applied to photodynamic activity water soluble azaphthalocyanine derivative; photosensitized photooxidation phenylisobenzofurane azaphthalocyanine derivative singlet oxygen generation, Synthetic Route of C6Cl2N4.

Aza analogs of phthalocyanines (AzaPc’s) bearing four long chains with carboxy groups at the end and four “”bulky”” diethylamino groups on periphery were synthesized and characterized. Their sodium salts are very soluble in water. The first studies on photodynamic activity of this tetrapyrazinoporphyrazines (a type of AzaPc) are presented. The dye-sensitized photooxidation of 1,3-diphenylisobenzofurane via 1O2 was studied in pyridine. Their photodynamic activity in vitro was not detected due to the aggregation behavior of these compounds in water.

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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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Organic Geochemistry called Molecular composition of sedimentary humic acids from South West Iberian Peninsula: A multi-proxy approach, Author is de la Rosa, J. M.; Gonzalez-Perez, J. A.; Gonzalez-Vila, F. J.; Knicker, H.; Araujo, M. F., which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Application of 616-43-3.

The mol. structural features of humic acid (HA) fractions isolated from recent sediments from the estuaries and continental platform along the Huelva littoral (SW Iberian Peninsula, Spain) were studied using complementary anal. tools. The approach included elemental anal., solid state, 13C cross polarisation magic angle spinning NMR spectroscopy (13C CP-MAS NMR), pyrolysis gas chromatog.-mass spectrometry (Py-GC/MS) and stable C and N isotopic composition (δ13C, δ15N). The results point to the presence of vascular plant matter contributing to all the HAs, even those far from the coastal area. A contribution of lignocellulose material was detected from 13C NMR signals at 152 ppm (O-aryl C), 55 ppm (methoxyl C) and 33 ppm (alkyl chain) and confirmed by the presence of lignin derived structures (methoxy phenols) in the pyrolysis chromatograms. Nevertheless, the HAs from the westernmost part of the continental platform had the lowest aromatic and the highest C-alkyl abundance (13C NMR spectroscopy). These data, combined with low C/N and high H/C values, a relative enrichment in δ13C and the presence in the pyrolyzates of conspicuous n-alkyl nitrile and amide series, together with n-alkane/ene homologues, pointed towards a relevant marine (autochthonous) contribution to this sedimentary organic matter (OM). In contrast, HAs from sediments collected from the Tinto-Odiel River mouth and Guadiana Estuary areas revealed a major input of terrestrial OM. In general, the data support the idea that the HAs still contain valuable information about the signature of aliphatic and aromatic biomacromols. contributing to the deposited OM.

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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 《Improved synthesis of 3-methylpyrrole》. Authors are Lancaster, Roscoe E. Jr.; VanderWerf, Calvin A..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Computed Properties of C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Pure 3-methylpyrrole (I) was synthesized in 37.8% yield starting with K phthalimide (II) by condensation of aminoacetone (III) with di-Et oxalacetate (IV) and subsequent hydrolysis and decarboxylation of the product, 2-carboxy-3-carbethoxy-4-methylpyrrole (V). The chief improvement is the method for in situ synthesis of III and in the improvement of the subsequent steps as well as the more complete characterization of I. II (250 g.) with 200 g. ClCH2Ac heated gently until reaction started, the reaction allowed to go to completion at room temperature, and the product isolated gave 269 g. N-acetonylphthalimide (VI), m. 116.0-16.8° (H2O). Concentrated HCl (150 ml.) and 75 ml. H2O refluxed 4 hrs. with 50 g. crude VI, cooled, the pH brought to 1.5, the filtrate slowly added to 45 g. IV Na salt in 400 ml. H2O while the temperature was maintained at 75° and the pH at 5 with small additions of NaOH solution, the mixture cooled, the precipitate removed, the pH of the filtrate adjusted to 8, the solution heated 0.5 hr. at 75°, reacidified, and separated gave 25.5 g. V, m. 195.7-6.8°. V (67 g.) refluxed 24 hrs. with 440 g. KOH in 1250 ml. H2O, the pH adjusted to 9, cooled, and collected gave after acidification of the filtrate 42.5 g. 3-carbethoxy-4-methylpyrrole (VII), m. 152.6-3.7°. VII (22 g.) on dry distillation gave 10.6 g. I, b740 142-3°, n20D 1.4970, n25D 1.4949. The absorption bands in the infrared spectra of I and 2-methylpyrrole (II) were compared in a table and the infrared spectra of 12.25% solutions of I and II in CHCl3 taken and the curves shown in figures.

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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

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 56413-95-7, is researched, Molecular C6Cl2N4, about Heavy metal effects on physicochemical properties of non-aggregated azaphthalocyanine derivatives, the main research direction is metal azaphthalocyanine derivative complex preparation fluorescence singlet oxygen yield.HPLC of Formula: 56413-95-7.

Two series of peripherally substituted azaphthalocyanines (AzaPcs) containing different transition metals (Al(III), Zn(II), Ga(III), In(III) and Fe(II)) were synthesized and studied for their photophys. properties. As confirmed by UV-visible and 1H NMR analyses, the non-aggregation behavior was effectively induced by the applied bulky peripheral substituents which had no effect on the photophys. properties. Tuning the Q-band position was clearly achievable by using different central heavy metals which have considerable effects on the fluorescence quantum yield and singlet oxygen generation efficiency. This comparative study showed an interesting linear relation between the former and at. number of the central metal. The indium containing complexes exhibited the best result due to the heavy metal effect and therefore could be promoted as a potential photosensitizer in photodynamic therapy (PDT) application.

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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 general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis of α,α’-unsubstituted pyrroles, published in 1959, which mentions a compound: 616-43-3, Name is 3-Methyl-1H-pyrrole, Molecular C5H7N, Synthetic Route of C5H7N.

α,α’-Unsubstituted pyrroles were made as intermediates for the synthesis of porphyrins and bile pigments. 3-Methylpyrrole (I) and 3,4-dimethylpyrrole were obtained in 40% yield (based on the starting acetal) from MeCOCH2CH(OMe)2 (II) and MeCOCHMeCH(OMe)2, resp. II cyanohydrin was condensed with dihydropyrene (III) to give MeC(CN)(OCH.CH2.CH2.CH2.CH2.O)CH2CH(OMe)2 which was reduced to the corresponding amine with LiAlH4. Acidification liberated the pyrrole but because of further transformation in the presence of acid, it could not be isolated. Acetylation of the amine, followed by treatment with MeC6H4SO3H in absolute Me2CO, split off III, liberated the aldehyde group and gave I acetyl derivative in one step. I was obtained by careful alk. hydrolysis.

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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

Kaye, B.; Brearley, C. J.; Cussans, N. J.; Herron, M.; Humphrey, M. J.; Mollatt, A. R. published an article about the compound: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O ).Synthetic Route of C7H13NO2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:3685-23-2) through the article.

Candoxatrilat, an active neutral endopeptidase inhibitor, was released rapidly from the inactive prodrug candoxatril in vivo in the mouse, rat, rabbit, dog and man. Oral doses of [14C]candoxatril were cleared rapidly, mostly by ester hydrolysis to candoxatrilat, in the mouse, dog and man. A complementary i.v. study in man with [14C]candoxatrilat showed that the active drug was virtually completely renally cleared. Neither candoxatril nor candoxatrilat underwent chiral inversion in man. The systemic availability of candoxatrilat from the oral prodrug was estimated to be 88, 53, 42, 17 and 32% in the mouse, rat, rabbit, dog and man resp. Plasma clearance of candoxatril was too rapid to enable pharmacokinetic parameter calculation in mice and rabbits; for man, the apparent oral clearance was 57.9 mL/min/kg and the elimination half-life was 0.46 h. For i.v. candoxatrilat, total plasma clearance values were 32, 15, 5.5, 5.8 and 1.9 mL/min/kg for the mouse, rat, rabbit, dog and man, resp. Renal clearance values were 8.7, 7.2, 2.9 and 1.7 mL/min/kg for the mouse, rat, dog and man, resp., and these approximated the resp. glomerular filtration rates. Allometric scaling with respect to body weight across the species allowed reasonable prediction of the above 2 clearance parameters in man.

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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 TD-GC-MS investigation of the VOCs released from blood plasma of dogs with cancer, published in 2013-03-31, which mentions a compound: 616-43-3, mainly applied to VOC blood plasma dog cancer TD GC MS; TD-GC-MS; cancer markers; dog blood plasma; volatile organic compounds, Reference of 3-Methyl-1H-pyrrole.

An anal. TD-GC-MS method was developed and used for the assessment of volatile organic compounds (VOCs) released from the blood plasma of dogs with/without cancer. VOCs released from 40 samples of diseased blood and 10 control samples were compared in order to examine the difference between both sample groups that were showing qual. similar results independent from the disease’s presence. However, mild disturbances in the spectra of dogs with cancer in comparison with the control group were observed, and six peaks (tentatively identified by comparison with mass spectral library as hexanal, octanal, toluene, 2-butanone, 1-octen-3-ol and pyrrole) revealed statistically significant differences between both sample groups, thereby suggesting that these compounds are potential biomarkers that can be used for cancer diagnosis based on the blood plasma TD-GC-MS anal. Statistical comparison with the application of principal component anal. (PCA) provided accurate discrimination between the cancer and control groups, thus demonstrating stronger biochem. perturbations in blood plasma when cancer is present.

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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

Tomura, Masaaki; Tanaka, Shoji; Yamashita, Yoshiro published the article 《Synthesis, structure and properties of the novel conducting dithiolato-metal complexes having dicyanopyrazine moieties》. Keywords: crystal structure TTF palladium cyanopyrazinethiolate 2345; TTF salt nickel palladium cyanomercaptopyrazine complex; pyrazine cyanomercapto nickel palladium complex TTF; elec conductivity TTF nickel palladium cyanomercaptopyrazine; thiolate cyanopyrazinedi nickel palladium complex; tetrathiafulvalene nickel palladium cyanopyrazinethiolate.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Related Products of 56413-95-7. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:56413-95-7) here.

Novel dithiolato-metal complexes from 2,3-dicyano-5,6-dimercaptopyrazine (H2dcdmp) ligands were synthesized, and their TTF salts, (TTF)5[M(dcdmp)2]2 (M = Ni or Pd), were obtained by the diffusion method in MeCN. The elec. conductivities of these complexes at room temperature are 10-2-10-3 S cm-1. The x-ray structural anal. of (TTF)5[Pd(dcdmp)2]2 indicates that 2 Pd(dcdmp)2 mols. and 1 TTF mol. form 2:1 mixed stacks along the c axis, and other TTF mols. stack along the b axis. A number of intermol. S···N and S···S heteroatom contacts within the sum of van der Waals radii are observed in the crystal.

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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 《Thermal reactions of organic nitrogen compounds. III. 1-Isopropylpyrrole》. Authors are Jacobson, I. A. Jr.; Jensen, H. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Reference of 3-Methyl-1H-pyrrole. Through the article, more information about this compound (cas:616-43-3) is conveyed.

cf. CA 57, 9781i. 1-Isopropylpyrrole isomerized irreversibly to 2-isopropylpyrrole, which in turn isomerized reversibly to 3-isopropylpyrrole. The temperature range was 340-575°. The entropies and heats of activation were calculated for the isomerization reactions 1-alkylpyrrole → 2-alkylpyrrole ⇄ 3-alkylpyrrole at 500° for methyl-, butyl-, and isopropylpyrrole.

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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