Category: 81698-03-5

D-Phe-Pro-Arg type thrombin inhibitors: unexpected selectivity by modification of the P1 moiety was written by Lange, Udo E. W.;Baucke, Dorit;Hornberger, Wilfried;Mack, Helmut;Seitz, Werner;Hoffken, H. Wolfgang. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2003.Recommanded Product: 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile The following contents are mentioned in the article:

Synthesis of thrombin inhibitors and their binding mode to thrombin is described. Modification of the P1 moiety leads to an increased selectivity vs. trypsin. The observed selectivity is discussed in view of their thrombin-inhibitor complex X-ray structures. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Recommanded Product: 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. The electronic structure of nitriles is very similar to that of an alkyne with the main difference being the presence of a set of lone pair electrons on the nitrogen. Asymmetric bioreduction of nitriles is an attractive route to produce optically active nitriles as current metal-catalyzed hydrogenations tend to have low reactivity.Recommanded Product: 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

ESR studies of ω-hydroperfluoroalkyl 1-methyl-2-substituted-pyrrolyl-5-carbonyl nitroxides and dual-parameter correlation analysis of their hyperfine splitting constants was written by Zhao, Cheng-Xue;He, Hai-Ying;Qu, Yan-Ling;Jiang, Xi-Kui. And the article was included in Journal of Fluorine Chemistry in 1999.Product Details of 81698-03-5 The following contents are mentioned in the article:

Two series of title compounds [I; R = (CF₂)₄H, (CF₂)₆H; X = H, Me, Cl, cyano, MeCO, O₂N, HO₂C, MeS, MeO₂C, Me₃Si, Br, MeO], generated in the H-abstraction/spin trapping reaction of the 12 corresponding 2-substituted 1-methylpyrrolyl-5-carboxaldehydes with the H-abstracting agent R₂NO^• and the spin-trapping agent RNO, were studied by ESR. Correlation anal. of the a_N values of I with polar and spin-delocalization substituent constants shows that a_N values are mainly affected by the polar effect, but the spin-delocalization effect also exists. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Product Details of 81698-03-5).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. Nitrile function is a very important functional group because it can be manipulated to other functional groups such as carboxylic acid by hydrolysis or amine by reduction, respectively. Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.Product Details of 81698-03-5

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Pyrrole chemistry. XXIV. The Vilsmeier formylation and the cyanation of pyrrole acetals. A synthesis of pyrrole-2,3,5-tricarboxaldehyde was written by Loader, Charles E.;Barnett, Graham H.;Anderson, Hugh J.. And the article was included in Canadian Journal of Chemistry in 1982.SDS of cas: 81698-03-5 The following contents are mentioned in the article:

The preparation of the acetals of a number of pyrrole mono- and dicarboxaldehydes is described. It is shown that, provided the reactivity of the unsubstituted ring positions on the pyrrole nucleus is not too low, a carboxaldehyde or a carbonitrile group may be substituted onto the pyrrole ring using the Vilsmeier reaction or chlorosulfonyl isocyanate, resp. Vilsmeier formylation of the diacetal, 2,4-bis(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole, followed by hydrolysis gave pyrrole-2,3,5-tricarboxaldehyde. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5SDS of cas: 81698-03-5).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. The electronic structure of nitriles is very similar to that of an alkyne with the main difference being the presence of a set of lone pair electrons on the nitrogen. In conventional organic reductions, nitrile is reduced by treatment with lithium aluminium hydride to the amine. Reduction to the imine followed by hydrolysis to the aldehyde takes place in the Stephen aldehyde synthesis, which uses stannous chloride in acid.SDS of cas: 81698-03-5

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Nitrile – Wikipedia,
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Preparation of twelve 1-methyl-2-formyl-5-substituted pyrroles and their hydrazones was written by He, Hai-Ying;Jiang, Xi-Kui. And the article was included in Chinese Journal of Chemistry in 1999.Formula: C7H6N2O The following contents are mentioned in the article:

Preparation of twelve 1-methyl-2-formyl-5-substituted pyrroles I (Y = H, NO₂, CO₂Me, etc.), with five of them as new compounds, is described. Their derivatives, i. e., 1-methyl-2-formyl-5-substituted pyrrole Ph hydrazones II (R = H) and 1-methyl-2-formyl-5-substituted pyrrole (4-nitrophenyl) hydrazones II ( R = NO₂) are all new compounds They have also been prepared and further identified. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Formula: C7H6N2O).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. The R-C-N bond angle in and nitrile is 180° which give a nitrile functional group a linear shape. Both the carbon and the nitrogen are sp hydridized which leaves them both with two p orbitals which overlap to form the two π bond in the triple bond. Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.Formula: C7H6N2O

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mass spectra of substituted N-alkylpyrroles and related compounds was written by Lin, Shaw Tao;Shiue, Gong Yih;Kuo, Yueh Hsiung;Shih, Kae Shyang. And the article was included in Journal of the Chinese Chemical Society (Taipei, Taiwan) in 1994.Synthetic Route of C7H6N2O The following contents are mentioned in the article:

Under EI conditions, substituents on N-alkylpyrroles affect fragmentation of the alkyl groups. The electron-withdrawing character of the cyano group retarded formation of an N-methylene cation, and a labile substituent, i.e., CHO, CH₂COOMe, competed with an N-alkyl group to be an initial fragmentation center. MNDO calculation of the heat of formation of possible fragment ions showed that protonated pyridine is the most stable among the isobaric ions. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Synthetic Route of C7H6N2O).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. Trimerization of aromatic nitriles requires harsh reaction conditions, high temperatures, long reaction times, and pressure. In conventional organic reductions, nitrile is reduced by treatment with lithium aluminium hydride to the amine. Reduction to the imine followed by hydrolysis to the aldehyde takes place in the Stephen aldehyde synthesis, which uses stannous chloride in acid.Synthetic Route of C7H6N2O

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dual-parameter correlation analysis of the redox potential data of 1-methyl-2-formyl-5-substituted pyrroles and their hydrazones was written by He, Hai Ying;Lin, Chen;Zhao, Cheng Xue;Jiang, Xi Kui. And the article was included in Chinese Chemical Letters in 2001.Safety of 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile The following contents are mentioned in the article:

By using 1-methyl-2-formyl-5-substituted pyrroles (1-Y), 1-methyl-2-formyl-5-substituted pyrrole phenylhydrazones (2-Y) and 1-methyl-2-formyl-5-substituted pyrrole (4-nitrophenyl)-hydrazones (3-Y) as model structures for N-containing heterocyclic aromatic compounds, correlation anal. of their redox potential data show that the transition states (TS) of the polarog. process are mainly affected by the polar effects, but spin-delocalization effects also exist. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Safety of 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. The R-C-N bond angle in and nitrile is 180° which give a nitrile functional group a linear shape. Both the carbon and the nitrogen are sp hydridized which leaves them both with two p orbitals which overlap to form the two π bond in the triple bond. In addition, Nitriles can react with alkynes, which leads to an increase in carbon chain length (carbocyanation).Safety of 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile

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Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dual-parameter correlation analysis of UV spectral data for 1-methyl-2-formyl-5-Y-substituted pyrroles and their hydrazones. First observation of a dominant polar effect was written by He, Roderick Hai-Ying;Jiang, Xi-Kui. And the article was included in Journal of Physical Organic Chemistry in 1999.Reference of 81698-03-5 The following contents are mentioned in the article:

Using 36 1-methyl-2-formyl-5-Y-substituted pyrrole derivatives I [Y = H, Me, Cl, cyano, MeCO, O₂N, HO₂C, MeS, MeO₂C, Me₃Si, Br, MeO; Z = O, NNHPh, NNHC₆H₄NO₂-4 (II)] as models for N-containing heterocyclic aromatic compounds, the K-band λ_max values of their UV spectra were measured. Correlation anal. of the ν_max values by a dual-parameter equation shows that the ν_max values of these compounds are affected, albeit to different degrees, by both the polar (σ^x) and spin-delocalization effects (σ^·) of the substituents. Interestingly, the UV spectra of II are mainly affected by the polar effects. The correlation results are in accord with a previous speculation that a higher degree of polarization of the substrate mol. would demand a higher degree of polar assistance from the substituent at the transition states. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5Reference of 81698-03-5).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. There has been no report on the microbial biosynthesis of nitriles and the physiological function of such enzymes, nor was it not even known whether aliphatic and aromatic nitriles are biological compounds or just petrochemicals. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.Reference of 81698-03-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

EPR studies of 1-methyl-2-substituted-5-pyrrolylcarbonyl fluorinated nitroxides and dual-parameter correlation analysis of their hyperfine splitting constants was written by He, Roderick Hai-Ying;Zhao, Cheng-Xue;Zhou, Cheng-Ming;Jiang, Xi-Kui. And the article was included in Tetrahedron in 1999.HPLC of Formula: 81698-03-5 The following contents are mentioned in the article:

Three series of new 1-methyl-2-substituted-5-pyrrolylcarbonyl fluorinated nitroxides, (I;R_f = C₂F₅, n-C₃F₇, n-C₇F₁₅; R=H,Me,Cl,CN,COMe,NO₂,SMe,CO₂Me,SiMe₃,Br,OMe), generated by the H-abstraction/spin-trapping reaction of eleven 1-methyl-2-substituted-pyrrole-5-carbaldehydes (6) with the H-abstracting agent [R_fN(O^·)R_f] 1 and the spin-trapping agent R_fNO 2, were studied by ESR. Correlation anal. of their a_N values with polar and spin-delocalization substituent constants shows that a_N values are mainly affected by the polar effect of the 2-substituent, but the spin-delocalization effect also exists. This study involved multiple reactions and reactants, such as 5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5HPLC of Formula: 81698-03-5).

5-Formyl-1-methyl-1H-pyrrole-2-carbonitrile (cas: 81698-03-5) belongs to nitriles. Nitrile function is a very important functional group because it can be manipulated to other functional groups such as carboxylic acid by hydrolysis or amine by reduction, respectively. Some nitriles are manufactured by heating carboxylic acids with ammonia in the presence of catalysts. This process is used to make nitriles from natural fats and oils, the products being used as softening agents in synthetic rubbers, plastics, and textiles and for making amines.HPLC of Formula: 81698-03-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts