Day: April 7, 2022

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 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.Computed Properties of C7H13NO2.

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.

From this literature《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》,we know some information about this compound(3685-23-2)Computed Properties of C7H13NO2, but this is not all information, there are many literatures 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

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 A novel nickel(II) complex adopting a cis-configuration: solvothermal synthesis and crystal structure of [NiL2(H2O)4] (L = 1,4-dihydropyrazine-2,3-dione-5,6-dicarboxylate), the main research direction is nickel pyrazinedionedicarboxylate complex preparation structure; crystal structure nickel pyrazinedionedicarboxylate complex; pyrazinedicarbodinitrile reaction cadmium nickel perchlorate hydrate.Product Details of 56413-95-7.

Under solvothermal reaction conditions, the reaction of 5,6-dichloropyrazine-2,3-dicarbonitrile and [Ni(ClO4)2]·6H2O produces a novel cis-Ni(II) complex [NiL2(H2O)4] (1) (L = 1,4-dihydropyrazine-2,3-dione-5,6-dicarboxylate), whereas only hydrated 1,4-dihydropyrazine-2,3-dione-5,6-dicarboxylic acid (2) was obtained as a single phase when [Cd(ClO4)2]·6H2O was used instead of [Ni(ClO4)2]·6H2O. The crystal structure of 1 was determined

From this literature《A novel nickel(II) complex adopting a cis-configuration: solvothermal synthesis and crystal structure of [NiL2(H2O)4] (L = 1,4-dihydropyrazine-2,3-dione-5,6-dicarboxylate)》,we know some information about this compound(56413-95-7)Product Details of 56413-95-7, but this is not all information, there are many literatures 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

Recommanded Product: 3-Methyl-1H-pyrrole. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Organic geochemical studies of soils from Rothamsted Experimental Station: III. Nitrogen-containing organic matter in soil from Geescroft Wilderness. Author is van Bergen, Pim F.; Flannery, Matthew B.; Poulton, Paul R.; Evershed, Richard P..

Three distinct soil horizons from a mature oak dominated woodland were studied in order to determine the changes in the mol. composition of nitrogen-containing organic matter down a soil profile. The total amount of nitrogen relative to soil organic carbon increased down the profile with most of the recognizable nitrogen-containing compounds in the leaf litter and humic horizon being either amino acid or amino sugar derived. In contrast, a significant proportion of the organic nitrogen moieties in the mineral horizon appeared to contain macromol.-bound nitrogen which is believed to represent the socalled “”unknown”” soil organic nitrogen and is not obviously related to known biomols. The increase in total amino acids in the humic and mineral horizons indicated contributions from sources other than the leaf litter. The increase in organic nitrogen-containing moieties, most probably amino acids derived, accounted for the less depleted δ13C values observed in the mineral soil horizon.

From this literature《Organic geochemical studies of soils from Rothamsted Experimental Station: III. Nitrogen-containing organic matter in soil from Geescroft Wilderness》,we know some information about this compound(616-43-3)Recommanded Product: 3-Methyl-1H-pyrrole, but this is not all information, there are many literatures related to this compound(616-43-3).

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

Quality Control of 3-Methyl-1H-pyrrole. 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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Deprotonation of Methyl-Substituted, Five-Membered Aromatic Molecules: A Surprising Case of Mixed Conjugation, Rehybridization, and Induction Contributions. Author is Mo, Yirong; Ahmed, Basil M.; Guan, Liangyu; Karty, Joel; Mezei, Gellert.

Methyl-substituted, six-membered aromatic mols. are deprotonated to benzylic carbanions, which are stabilized by π conjugation. In contrast, deprotonation of 3(5)-methylpyrazole (NH protected) occurs at an endocylic CH group. Computational analyses showed that the reduction of π conjugation in substituted five-membered rings plays a major role, while the reduced bond angles, in addition to the strengthened induction of Csp2 vs. Csp3, further favor the deprotonation of endocyclic carbon sites rather than that of the Me group.

From this literature《Deprotonation of Methyl-Substituted, Five-Membered Aromatic Molecules: A Surprising Case of Mixed Conjugation, Rehybridization, and Induction Contributions》,we know some information about this compound(616-43-3)Quality Control of 3-Methyl-1H-pyrrole, but this is not all information, there are many literatures related to this compound(616-43-3).

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: 616-43-3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Photosensitized oxygenation of 3-methylpyrrole involving a dioxetane intermediate. Author is Lightner, David A.; Low, Lawrence K..

The Rose Bengal-sensitized photooxidation of 3-methylpyrrole in MeOH gave 3% 3-methyl-3-methoxy-4-pyrrolin-2-one and 6% 3-hydroxy-3-methyl-4-pyrrolin-2-one via a dioxetane intermediate, 22% 3-methyl-5-methoxy-3-pyrrolin-2-one, 7% 4-methyl-5-methoxy-3-pyrrolin-2-one, 10% 5-hydroxy-3-methyl-3-pyrrolin-2-one, and 13% citraconimide.

From this literature《Photosensitized oxygenation of 3-methylpyrrole involving a dioxetane intermediate》,we know some information about this compound(616-43-3)HPLC of Formula: 616-43-3, but this is not all information, there are many literatures related to this compound(616-43-3).

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 chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Dicyanopyrazine-derived push-pull chromophores for highly efficient photoredox catalysis, the main research direction is dicyanopyrazine photoredox catalyst optical gap absorption density functional theory.COA of Formula: C6Cl2N4.

Here, we report dicyanopyrazine (DPZ)-derived push-pull chromophores, easily prepared and tunable organic compounds, as new kinds of photoredox catalysts. In particular, the DPZ derivative H, containing 2-methoxythienyl as electron-donating moiety, exhibits a broad absorption of visible light with an absorption edge up to 500 nm and excellent redox properties, and has been demonstrated as a desirably active and efficient photoredox catalyst in four challenging kinds of photoredox reactions. The amount of catalyst in most reactions is less than 0.1 mol% and even 0.01 mol%, representing the lowest catalyst loading in the current photoredox organocatalysis.

From this literature《Dicyanopyrazine-derived push-pull chromophores for highly efficient photoredox catalysis》,we know some information about this compound(56413-95-7)COA of Formula: C6Cl2N4, but this is not all information, there are many literatures 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

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: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis and spectral properties of tetrapyrazinoporphyrazinato metal complexes derived from a sterically hindered phenol.Related Products of 56413-95-7.

The synthesis of metal-containing tetrapyrazinoporphyrazines (azaphthalocyanines) bearing eight bulky substituents at the peripheral positions is described. The key precursor was prepared using a nucleophilic aromatic substitution reaction between a sterically hindered phenol and 5,6-dichloropyrazine-2,3-dicarbonitrile. Thus, azaphthalocyanine (AzaPc) derived from 2,6-isopropyl-4-nitrophenol possesses substituents that are forced by steric constraints to adopt a non-planar conformation which drastically enhances the solubility of the macrocycles and inhibits efficient cofacial interaction of the macrocycles even in the solid state as evaluated by UV-visible and 1H NMR spectroscopic techniques. The intense absorption in the red visible region and photostability of these highly soluble and non-aggregated complexes enhance the dynamic activity and make these complexes potentially suitable for PDT.

From this literature《Synthesis and spectral properties of tetrapyrazinoporphyrazinato metal complexes derived from a sterically hindered phenol》,we know some information about this compound(56413-95-7)Related Products of 56413-95-7, but this is not all information, there are many literatures 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

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 Syntheses of 1,4,5,8-tetraazanaphthalene derivatives from diaminomaleonitrile, published in 1978-09-30, which mentions a compound: 56413-95-7, Name is 5,6-Dichloropyrazine-2,3-dicarbonitrile, Molecular C6Cl2N4, Computed Properties of C6Cl2N4.

Cyclization of diaminomaleonitrile (I) with (COCl)2 in dioxane gave 70% II. Chlorination of II by POCl3 gave 50% III. Amination off III by NH3 in DMF gave 90% IV. Cyclization of IV with (COCl)2 and chlorination by POCl3 gave 50% V. Cyclization of I with III gave 90% 2,3,6,7-tetracyano-1,4-dihydro-1,4,5,8-tetraazanaphthalene (VI). Oxidation of VI by 2,3-dichloro-5,6-dicyano-1,4-benzoquinone gave VII.

From this literature《Syntheses of 1,4,5,8-tetraazanaphthalene derivatives from diaminomaleonitrile》,we know some information about this compound(56413-95-7)Computed Properties of C6Cl2N4, but this is not all information, there are many literatures 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

Ikawa, Takashi; Takagi, Akira; Kurita, Yurio; Saito, Kozumo; Azechi, Kenji; Egi, Masahiro; Kakiguchi, Keisuke; Kita, Yasuyuki; Akai, Shuji published an article about the compound: 3-Methyl-1H-pyrrole( cas:616-43-3,SMILESS:CC1=CNC=C1 ).Reference of 3-Methyl-1H-pyrrole. 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:616-43-3) through the article.

1,3,2-Dioxaborolan-2-yl benzynes, generated from 2-Bpin-4-R1-6-iodophenol triflates [6a-d; Bpin = B(OCMe2)2] undergo regioselective Diels-Alder cycloaddition with 2-R2-furans and 2-R2-4-R3-1-R4-1H-pyrroles, yielding the corresponding functionalized boronates I (4a-m; R1 = H, Me, Br, CO2Me; R2 = Me, Bu, tBu, SiMe3, SnBu3, CO2Me, COMe, CN, Ph, OMe) and II (same R1, R2 = H, Et, CH2CH2Ph; R3 = H, Me; Z = NTs, NBoc) with high yields and 87-98% regioselectivities. The benzyne formation was promoted by iPrMgCl/LiCl reagent. The boronate group was successfully converted into butylamino, hydroxy and Ph groups following common procedures.

From this literature《Preparation and regioselective Diels-Alder reactions of borylbenzynes: synthesis of functionalized arylboronates》,we know some information about this compound(616-43-3)Reference of 3-Methyl-1H-pyrrole, but this is not all information, there are many literatures related to this compound(616-43-3).

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

Application of 616-43-3. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Decoys for Docking. Author is Graves, Alan P.; Brenk, Ruth; Shoichet, Brian K..

Mol. docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding mols. over true ligands. These false-pos. hits may be considered “”decoys””. Although these decoys are frustrating, they potentially provide important tests for a docking algorithm; the more subtle the decoy, the more rigorous the test. Indeed, decoy databases have been used to improve protein structure prediction algorithms and protein-protein docking algorithms. Here, we describe 20 geometric decoys in five enzymes and 166 “”hit list”” decoys-i.e., mols. predicted to bind by our docking program that were tested and found not to do so – for β-lactamase and two cavity sites in lysozyme. Especially in the cavity sites, which are very simple, these decoys highlight particular weaknesses in our scoring function. We also consider the performance of five other widely used docking scoring functions against our geometric and hit list decoys. Intriguingly, whereas many of these other scoring functions performed better on the geometric decoys, they typically performed worse on the hit list decoys, often highly ranking mols. that seemed to poorly complement the model sites. Several of these “”hits”” from the other scoring functions were tested exptl. and found, in fact, to be decoys. Collectively, these decoys provide a tool for the development and improvement of mol. docking scoring functions. Such improvements may, in turn, be rapidly tested exptl. against these and related exptl. systems, which are well-behaved in assays and for structure determination

From this literature《Decoys for Docking》,we know some information about this compound(616-43-3)Application of 616-43-3, but this is not all information, there are many literatures related to this compound(616-43-3).

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