Tag: M.W=100-200

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.Zimcik, Petr; Miletin, Miroslav; Ponec, Jan; Kostka, Miroslav; Fiedler, Zdenek researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Application In Synthesis of 5,6-Dichloropyrazine-2,3-dicarbonitrile.They published the article 《Synthesis and studies on photodynamic activity of new water-soluble azaphthalocyanines》 about this compound( cas:56413-95-7 ) in Journal of Photochemistry and Photobiology, A: Chemistry. Keywords: photodynamic activity water soluble azaphthalocyanine derivative; photosensitized photooxidation phenylisobenzofurane azaphthalocyanine derivative singlet oxygen generation. We’ll tell you more about this compound (cas:56413-95-7).

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

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Activation of the amide group by acylation. V. Inclusion of amino acid residues into linear and cyclic peptides》. Authors are Antonov, V. K.; Agadzhanyan, Ts. E.; Telesnina, T. R.; Shemyakin, M. M..The article about the compound:cis-4-Aminocyclohexane carboxylic acidcas:3685-23-2,SMILESS:N[C@H]1CC[C@H](CC1)C(O)=O).SDS of cas: 3685-23-2. Through the article, more information about this compound (cas:3685-23-2) is conveyed.

cf. CA 63, 16255f. Dipeptides and lactams acylated at the amide-N by amino acid residues were shown to isomerize to give corresponding linear or cyclic peptides through intermediate azocyclols, which can also undergo dehydration to form acylamidines. The transannular interaction of amide groups in 9-10-membered cyclopeptides can also result in similar acylamidines; such a process takes place during mass spectrometry of cyclopeptides. N-Phthaloylglycylglycine Et ester and azidoacetyl chloride refluxed in MePh 10 hrs. gave after filtration and evaporation 46% N-azidoacetyl-N’-phthaloylglycylglycine Et ester, m. 115-16°. Similarly were prepared 36% N-azidoacetyl-N’-phthaloylglycyl-L-leucine Et ester, m. 118-19°. The former treated with 28% HBr in AcOH overnight in the cold, diluted with Et2O, and the resulting precipitate (I) treated with Et3N in tetrahydrofuran gave 70% N-phthaloylglycylglycylglycine Et ester, m. 228-9°. Similarly was prepared N-phthaloylglycylglycyl-L-leucine Et ester, m. 155-6°. I and H2O in 5 min. gave 73% 2-phthaloylaminomethyl-3-carbethoxymethyl-Δ1-imidazolin-4-one, m. 153-4°. Similarly was obtained 63% 2-phthaloylaminomethyl-3-(1-carbethoxy-3-methylbutyl)-Δ1-imidazolin-4-one, m. 117-18°. Carbobenzoxy-β-alanyl chloride and butyrolactam in Et2O were treated at 5° with Et3N to yield in 1 day at 20° 58% N-carbobenzoxy-β-alanylbutyrolactam (II), m. 94-5°. Similar reaction with valerolactam gave N-carbobenzoxy-β-alanylvalerolactam, m. 60-1°. Similarly was prepared 50% N-carbobenzoxy-β-alanylcaprolactam, m. 60-1°. II hydrogenated over Pd in Et2O gave 38% cyclo(β-alanyl-γ-aminobutyryl) (III), m. 173°, also formed from II by treatment with 27% HBr in AcOH 45 min.; HBr salt m. 119-20°. Similarly was obtained cyclo(β-alanyl-δ-aminovaleryl) (IV), m. 187°, and 61% cyclo(β-alanyl-ε-aminocaproyl) (V), m. 259°. III heated in xylene 1 hr. under azeotropic conditions of H2O removal gave 68% 1,2-trimethylene-6-oxo-1,4,5,6-tetrahydropyrimidine (IIIa), b12 152-4°. IV similarly gave 45% 1,2-tetramethylene-6-oxo-1,4,5,6-tetrahydropyrimidine (IVa), b12 160° (no reaction took place in ο-Cl2C6H4 in 4 hrs. with V). III heated with H2O 5 min. gave 80% N-[1-aza-1-cyclopenten-2-yl]-3-aminopropionic acid (VI), decomposed 186-7°. H2NCH2CH2CO2H in MeOH was treated with O-methylbutyrolactam and gave after heating 10 min. 97% VI. Similarly O-methylvalerolactam gave 95% N-[1-aza-1-cyclohexen-2-yl]-3-aminopropionic acid, m. 186°, which heated with removal of H2O in Cl2C6H4 gave 91% IVa. Similarly O-methylcaprolactam gave 93% N-[1-aza-1-cyclohepten-2-yl]-3-aminopropionic acid, m. 200-1°, which heated in Cl2C6H4 gave 12% cyclo(β-alanyl-ε-aminocapropyl) and 80% 1,2-pentamethylene-6-oxo-1,4,5,6-tetrahydropyrimidine, b10 185-90°, m. 35°. Heating VI in xylene with removal of H2O gave IIIa. The latter kept with H2O 2 days gave VI, while H2O-Ag2O gave 32% VI and 54% cyclo(β-alanyl-γ-aminobutyryl). The above analogs of VI reacted similarly.

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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

Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about New highly soluble phenoxy-substituted phthalocyanine and azaphthalocyanine derivatives: Synthesis, photochemical and photophysical studies and atypical aggregation behavior. Author is Makhseed, Saad; Tuhl, Ahmad; Samuel, Jacob; Zimcik, Petr; Al-Awadi, Nouria; Novakova, Veronika.

Zn phthalocyanines and corresponding aza-analog azaphthalocyanines substituted with peripheral 2,6-diisopropylphenoxy substituents containing different functional groups (Br, OCH3, and OH) were synthesized and their photophys. properties were studied. UV-visible and 1H NMR analyses confirmed the nonaggregation behavior of the prepared complexes in most organic solvents. All studied compounds showed good photophys. and photochem. properties in THF and DMF with ΦF values at 0.22-0.44 and ΦΔ values ranging between 0.42 and 0.57. Hydroxylated compounds showed good solubility in polar solvents including EtOH, MeOH, acetone and even in aqueous EtOH mixtures Absorption spectra in aqueous EtOH indicated presence of only monomers even at very low EtOH content in H2O (0.5% of EtOH in H2O). Despite this, no fluorescence occurred from ∼50% of EtOH in H2O suggesting presence of aggregates that do not differ from monomers in a shape of absorption spectra.

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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, ChemistrySelect called Structure-Catalytic Activity in a Series of Push-Pull Dicyanopyrazine/Dicyanoimidazole Photoredox Catalysts, Author is Hlouskova, Zuzana; Tydlitat, Jiri; Kong, Manman; Pytela, Oldrich; Mikysek, Tomas; Klikar, Milan; Almonasy, Numan; Dvorak, Miroslav; Jiang, Zhiyong; Ruzicka, Ales; Bures, Filip, which mentions a compound: 56413-95-7, SMILESS is N#CC1=NC(Cl)=C(Cl)N=C1C#N, Molecular C6Cl2N4, COA of Formula: C6Cl2N4.

A series of dicyanopyrazine and dicyanoimidazole derived push-pull mols. have been prepared and further investigated as photoredox catalysts. The fundamental properties of the catalysts were studied by DSC, X-ray anal., absorption/emission spectra, and electrochem. and were completed with the DFT results. The catalytic activity has been evaluated in visible light induced α-functionalization of amines (cross-dehydrogenative coupling and annulation reaction of tetrahydroisoquinolines). Thorough structure-property-catalytic activity relationships were elucidated. The developed series of tailored organic photoredox catalysts allows synthetic chemists to perform desired reactions under sustainable and mild conditions employing solely visible light as a source of energy.

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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

Snyder, Kristin R.; Murray, Thomas F.; DeLander, Gary E.; Aldrich, Jane V. 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 ).Name: cis-4-Aminocyclohexane carboxylic acid. 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.

4-Aminocyclohexanecarboxylic acid (I) was synthesized by catalytic hydrogenation of p-aminobenzoic acid, and the cis and trans isomers were separated by fractional recrystallization Analogs of dynorphin A(1-13)amide containing cis- and trans-I were prepared by solid-phase peptide synthesis using the 9-fluorenylmethoxycarbonyl (Fmoc) chem. protocol. Results from radioligand binding assays indicated that the peptides have modest affinity for κ opioid receptors and modest κ-receptor selectivity. These analogs containing cis- and trans-I are the first reported dynorphin A analogs constrained in the message sequence that are selective for κ receptors. The analog containing cis-I showed very weak opioid activity in the guinea pig ileum.

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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 natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56413-95-7, is researched, SMILESS is N#CC1=NC(Cl)=C(Cl)N=C1C#N, Molecular C6Cl2N4Journal, Dyes and Pigments called The synthesis and cyclotetramerisation reactions of aryloxy-, arylalkyloxy-substituted pyrazine-2,3-dicarbonitriles and spectroelectrochemical properties of octakis(hexyloxy)-pyrazinoporphyrazine, Author is Uslu Kobak, Rabia Zeynep; Oeztuerk, Egemen Selcuk; Koca, Atif; Guel, Ahmet, the main research direction is arylalkyloxy substituted pyrazine dicarbonitrile dye synthesis cyclotetramerization.Product Details of 56413-95-7.

Novel, aryloxy- and arylalkyloxy-substituted pyrazine dicarbonitriles were synthesized from 5,6-dichloropyrazine-2,3-dicarbonitrile and the corresponding phenol/alc. derivatives Cyclotetramerisation of these pyrazine derivatives to form metal pyrazinoporphyrazines in the presence of appropriate metal salts in different solvents such as DMF, quinoline, 2-dimethylaminoethanol and n-hexanol, resulted in decomposition products with the exception of the latter solvent which lead to mainly octakis(alkyloxy)pyrazinoporphyrazines. Cyclic voltammetry and differential pulsed voltammetry of the complexes indicated that cobalt pyrazinoporphyrazine displayed both ligand and metal-based redox processes while zinc and copper derivatives exhibited only ligand-based redox processes. The redox processes of the pyrazinoporphyrazines shifted significantly towards pos. potentials compared to those of the common phthalocyanines. The novel compounds were characterized using elemental anal. and spectral techniques.

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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

Category: chiral-oxygen-ligands. 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 cis-4-[[[(2-Chloroethyl)nitrosoamino]carbonyl]methylamino]cyclohexanecarboxylic acid, a nitrosourea with latent activity against an experimental solid tumor. Author is Johnston, Thomas P.; McCaleb, George S.; Rose, William C.; Montgomery, John A..

The title compound (I) was synthesized in five steps from cis-4-aminocyclohexanecarboxylic acid via the N-tosylated intermediate II. I, which is incapable of the facile decomposition that characterizes the clin. useful nitrosoureas, effected a significant cure rate of both early and established murine Lewis lung carcinoma, even though its in vitro half-life was ∼5.5 times that of the unmethylated parent compound This is the first observation of latent activity of a nitrosourea against an exptl. solid tumor.

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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: cis-4-Aminocyclohexane carboxylic acid( cas:3685-23-2 ) is researched.Synthetic Route of C7H13NO2.Patel, R. K.; Gisvold, Ole published the article 《The synthesis of some simple n-alkyl esters of 4-amino-1-cyclohexanecarboxylic acid》 about this compound( cas:3685-23-2 ) in Journal of the American Pharmaceutical Association (1912-1977). Keywords: ANESTHETICS; CYCLOHEXANES. Let’s learn more about this compound (cas:3685-23-2).

The following esters of cis-4-amino-1-cyclohexanecarboxylic acid were prepared by treating the crude acid chloride with the appropriate anhydrous alc. and recrystallizing the resulting ester from the alc. used in its preparation: Et, m. 193-4°, Pr, m. 184-5°, Bu, m. 174-5°, and pentyl, m. 169-70°. A preliminary test indicated that these compounds had anesthetic properties.

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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

HPLC of Formula: 3685-23-2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: cis-4-Aminocyclohexane carboxylic acid, is researched, Molecular C7H13NO2, CAS is 3685-23-2, about Competing fragmentation processes of β-substituted propanoate ions upon collision induced dissociation. Author is Le Blanc, Luc M.; Powers, Sean W.; Grossert, J. Stuart; White, Robert L..

Rationale : When subjected to collisional activation, gas-phase carboxylate ions typically undergo decarboxylation. However, alternative fragmentation processes dominate when the carboxylate group is located within certain structural motifs. In this work, the fragmentation processes of β-substituted carboxylate ions are characterized to improve correlations between reactivity and structure. Methods : Mass spectra were collected using both ion trap and triple quadrupole mass spectrometers operating in the neg. ion mode; collision induced dissociation (CID) of ions was used to study the relationship between product ions and the structures of their precursor ions. Quantum mech. computations were performed on a full range of reaction geometries at the MP2/6-311++G(2d,p)//B3LYP/6-31++G(2d,p) level of theory. Results : For a series of β-substituted carboxylate ions, a product ion corresponding to the anion of the β-substituent was obtained upon CID. Detailed computations indicated that decarboxylative elimination and at least one other fragmentation mechanism had feasible energetics for the formation of substituent anions differing in their gas-phase basicities. Predicted energetics for anti- and synperiplanar alignments in the transition structures for decarboxylative elimination correlated with the positions of crossover points in breakdown curves acquired for conformationally constrained ions. Conclusions : The feasibility of more than one mechanism was established for the fragmentation of β-substituted propanoates. The contribution of each mechanistic pathway to the formation of the substituent anion was influenced by structural variations and conformational constraints, but mostly depended on the nature of the substituent.

If you want to learn more about this compound(cis-4-Aminocyclohexane carboxylic acid)HPLC of Formula: 3685-23-2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3685-23-2).

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

Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis of mono-, di-, tri- and tetracarboxy azaphthalocyanines as potential dark quenchers. Author is Kopecky, Kamil; Satinsky, Dalibor; Novakova, Veronika; Miletin, Miroslav; Svoboda, Antonin; Zimcik, Petr.

Mono-, di-, tri- and tetracarboxy-substituted metal-free azaphthalocyanines (AzaPc) were synthesized from 5,6-bis(diethylamino)pyrazine-2,3-dicarbonitrile and 6-(5,6-dicyano-3-(diethylamino)pyrazin-2-ylamino)hexanoic acid using a statistical condensation approach. AzaPc bearing eight diethylamino peripheral substituents was also isolated from the mixture Anal. of the distribution of congeners in the statistical mixture using optimized HPLC method (Phenomenex Synergy RP Fusion column, acetonitrile/tetrahydrofuran/water (pH 5.5) 50:20:30) was performed. The anal. showed optimal ratios of starting materials to be 3:1 for AAAB, 1:3 for ABBB and 1:1 for AABB/ABAB types of the congeners. The distribution of the congeners corresponded well with calculated values indicating similar reactivity of both starting materials and no steric constraint between adjacent isoindole units in the AzaPc ring. All studied AzaPc showed no fluorescence, extremely low singlet oxygen quantum yields (Φ Δ < 0.005) in monomeric form and strong absorption in a wide range from 300 nm to almost 700 nm. Such properties are highly promising for future study of these compounds as dark quenchers of fluorescence in DNA hybridization probes. If you want to learn more about this compound(5,6-Dichloropyrazine-2,3-dicarbonitrile)Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56413-95-7).

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