Month: January 2023

Polarography of substituted nitrothiophenes was written by Tirouflet, Jean;Chane, Jean Paul. And the article was included in Compt. rend. in 1956.HPLC of Formula: 42137-24-6 This article mentions the following:

A direct correlation between the half-wave potentials of corresponding benzene and thiophene derivatives has been reported previously (C.A. 50, 10562e). The half-wave-potential increments due to substituent X in the 5-position in 2- and 3-nitrothiophene are determined and found to be equal within exptl. error with the corresponding increments in nitrobenzene, X-substituted in the para- and meta-position, resp. (X is: CH₃, I, CH(OCOCH₃)₂, CH:NOH, C(CH₃):NOH, CO₂H, COCH₃, CN, CHO, CO₂C₂H₅). The increments are pH independent between 2 and 12. The half-wave increments in the benzene series had been shown (Tirouflet, C.A. 50, 8343g) to be connected by the Hammett equation; hence the equation also holds for the thiophene series and the σ values are of the same order of magnitude. Some anal. applications of the increments are described. In the experiment, the researchers used many compounds, for example, 4-Nitrothiophene-2-carbonitrile (cas: 42137-24-6HPLC of Formula: 42137-24-6).

4-Nitrothiophene-2-carbonitrile (cas: 42137-24-6) 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. Nitrile groups in organic compounds can undergo a variety of reactions depending on the reactants or conditions. A nitrile group can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion.HPLC of Formula: 42137-24-6

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

3D-Quantitative structure-activity relationships: investigation of steric effects with descriptors directly from 3D structures using a comparative molecular field analysis (CoMFA) approach was written by Kim, Ki Hwan. And the article was included in Quantitative Structure-Activity Relationships in 1992.Product Details of 60979-25-1 This article mentions the following:

The applicability of the comparative mol. field anal. (CoMFA) method to describe the steric effects in 3D quant. structure-activity relationships (QSAR) has been investigated. Mol. fields calculated with a Me probe produced significant correlations with excellent cross-validation. These correlations are compared with the correlations of E_s, STERIMOL parameter, and mol. volume (MV) in transitional QSAR. The results indicate that the CoMFA treatment of steric effects using a Me probe is adequate for describing both the bulk and “steric” effects in 3D-QSAR studies. In the experiment, the researchers used many compounds, for example, 3-Amino-4-methoxybenzonitrile (cas: 60979-25-1Product Details of 60979-25-1).

3-Amino-4-methoxybenzonitrile (cas: 60979-25-1) 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. Nitriles are susceptible to hydrogenation over diverse metal catalysts. The reaction can afford either the primary amine (RCH2NH2) or the tertiary amine ((RCH2)3N), depending on conditions.Product Details of 60979-25-1

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Microwave accelerated synthesis of 2-aminothiophenes in ionic liquid via three component Gewald reaction was written by Chavan, Sunil S.;Pedgaonkar, Yogesh Y.;Jadhav, Ananda J.;Degani, Mariam S.. And the article was included in Indian Journal of Chemistry in 2012.Electric Literature of C8H8N2S This article mentions the following:

Microwave-accelerated synthesis of substituted 2-aminothiophenes by a 3-component Gewald reaction using a basic ionic liquid, 1,1,3,3-tetramethylguanidine lactate [TMG][Lac], as solvent as well as catalyst was developed. The products are obtained in good to high yields and the ionic liquid is reusable over several cycles without significant loss in catalytic activity. In the experiment, the researchers used many compounds, for example, 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (cas: 70291-62-2Electric Literature of C8H8N2S).

2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (cas: 70291-62-2) 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. 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.Electric Literature of C8H8N2S

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Substituent effect on the acetolysis of neophyl p-bromobenzenesulfonates was written by Fujio, Mizue;Funatsu, Kimito;Shibata, Koji;Yoshinaga, Hironori;Maeda, Yasuyuki;Goto, Mutsuo;Mishima, Masaaki;Tsuno, Yuho. And the article was included in Memoirs of the Faculty of Science, Kyushu University, Series C: Chemistry in 1984.Safety of 2-(4-Methoxyphenyl)-2-methylpropanenitrile This article mentions the following:

Substituent effects on acetolysis kinetics of several RC₆H₄CMe₂CH₂OBs (Bs = brosylate; R = p-MeO, p-MeS, m-Me, etc.), as well as of some analogous disubstituted derivatives, were determined An r value (a measure of resonance demand) of 0.56 in the LArSR equation indicated that the mechanism involves a rate-determining aryl-assisted transition state, which cascades down to the tertiary carbonium ion without staying as a bridged intermediate. Thus, the substituent effect maybe viewed as the effect on the aryl-assisted ionization step. The application of the Brown ρσ⁺ equation is criticized. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenyl)-2-methylpropanenitrile (cas: 5351-07-5Safety of 2-(4-Methoxyphenyl)-2-methylpropanenitrile).

2-(4-Methoxyphenyl)-2-methylpropanenitrile (cas: 5351-07-5) 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.Safety of 2-(4-Methoxyphenyl)-2-methylpropanenitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange was written by Soni, Rina;Jolley, Katherine E.;Clarkson, Guy J.;Wills, Martin. And the article was included in Organic Letters in 2013.Recommanded Product: (R)-4-(1-Hydroxyethyl)benzonitrile This article mentions the following:

An ‘arene exchange’ approach was successfully applied for the 1st time to the synthesis of Ru(II)-based ‘arene-tethered diamine’ reduction catalysts, e.g., I, directly from their ligands in one step. This provides an alternative method for the formation of known complexes, and a route to novel complexes. The novel complexes are highly active in both asym. transfer and pressure hydrogenation of ketones. E.g., reaction of acetophenone with catalyst I in HCO₂H/Et₃N solution at 60° to give quant. yield of (R)-1-phenylethanol. In the experiment, the researchers used many compounds, for example, (R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6Recommanded Product: (R)-4-(1-Hydroxyethyl)benzonitrile).

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) 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. Nitrile groups in organic compounds can undergo a variety of reactions depending on the reactants or conditions. A nitrile group can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion.Recommanded Product: (R)-4-(1-Hydroxyethyl)benzonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Highly active cooperative Lewis acid-ammonium salt catalyst for enantioselective hydroboration of ketones was written by Titze, Marvin;Heitkaemper, Juliane;Junge, Thorsten;Kaestner, Johannes;Peters, Rene. And the article was included in Angewandte Chemie, International Edition in 2021.Computed Properties of C9H9NO This article mentions the following:

Enantiopure secondary alcs. are fundamental high-value synthetic building blocks. One of the most attractive ways to get access to this compound class is the catalytic hydroboration. We describe a new concept for this reaction type that allowed for exceptional catalytic turnover numbers (up to 15 400), which were increased by around 1.5-3 orders of magnitude compared to the most active catalysts previously reported. In our concept an aprotic ammonium halide moiety cooperates with an oxo philic Lewis acid within the same catalyst mol. Control experiments reveal that both catalytic centers are essential for the observed activity. Kinetic, spectroscopic and computational studies show that the hydride transfer is rate limiting and proceeds via a concerted mechanism, in which hydride at Boron is continuously displaced by iodide, reminiscent to an S_N2 reaction. The catalyst, which is accessible in high yields in few steps, was found to be stable during catalysis, readily recyclable and could be reused 10 times still efficiently working. In the experiment, the researchers used many compounds, for example, (R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6Computed Properties of C9H9NO).

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) belongs to nitriles. Nitrile carbon shifts are in the range of 115�25 ppm whereas in isonitriles the shifts are around 155�65 ppm. 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.Computed Properties of C9H9NO

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

A remarkably effective catalyst for the asymmetric transfer hydrogenation of aromatic ketones in water and air was written by Wu, Xiaofeng;Vinci, Daniele;Ikariya, Takao;Xiao, Jiangliang. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2005.Synthetic Route of C9H9NO This article mentions the following:

A Rh(III) complex generated in situ from [Cp^*RhCl₂]₂ and (1R,2R)-N-(p-toluenesulfonyl)-1,2-cyclohexanediamine (TsCYDN) serves as a remarkably effective, robust catalyst for the asym. transfer hydrogenation of aromatic ketones by HCOONa in water in air, affording alcs. in up to 99% ee. In the experiment, the researchers used many compounds, for example, (R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6Synthetic Route of C9H9NO).

(R)-4-(1-Hydroxyethyl)benzonitrile (cas: 101219-69-6) 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 addition, Nitriles can react with alkynes, which leads to an increase in carbon chain length (carbocyanation).Synthetic Route of C9H9NO

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Synthesis of prenylated benzaldehydes and their use in the synthesis of analogs of licochalcone A was written by Kromann, Hasse;Larsen, Mogens;Boesen, Thomas;Schonning, Kristian;Nielsen, Simon Feldbaek. And the article was included in European Journal of Medicinal Chemistry in 2004.Synthetic Route of C11H13NO This article mentions the following:

A generally applicable synthesis of prenylated aromatic compounds exemplified by prenylated benzaldehydes starting from readily available acetophenones was described. The synthesized benzaldehydes were used to prepare a number of novel analogs, such as I (R = OH, R¹ = H, Cl, OMe; R = H, R¹ = H, OH; R = OMe, R¹ = OH, OMe), of Licochalcone A, a known antibacterial compound, and for the exploration of the pharmacophoric elements that are essential for the antibacterial activity. It was shown that the hydroxyl group in the A ring is essential for the activity and that the hydroxyl group in the B ring has no influence on the antibacterial effect of Licochalcone A. Furthermore, it is shown that the prenyl group at the position 5 of the B ring also has a dominating influence on the activity. This aliphatic group can be replaced by other lipophilic long chained substituents in order to maintain the activity. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenyl)-2-methylpropanenitrile (cas: 5351-07-5Synthetic Route of C11H13NO).

2-(4-Methoxyphenyl)-2-methylpropanenitrile (cas: 5351-07-5) 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. 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.Synthetic Route of C11H13NO

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Palladium-Catalyzed Late-Stage Direct Arene Cyanation was written by Zhao, Da;Xu, Peng;Ritter, Tobias. And the article was included in Chem in 2019.Recommanded Product: 3-(tert-Butyl)benzonitrile This article mentions the following:

The first general late-stage aryl C-H cyanation with broad substrate scope and functional-group tolerance was reported. The reaction was enabled by a dual-ligand combination of quinoxaline and an amino acid-derived ligand. The method was applicable to direct cyanation of several marketed small-mol. drugs, common pharmacophores and organic dyes. In the experiment, the researchers used many compounds, for example, 3-(tert-Butyl)benzonitrile (cas: 154532-34-0Recommanded Product: 3-(tert-Butyl)benzonitrile).

3-(tert-Butyl)benzonitrile (cas: 154532-34-0) belongs to nitriles. Nitrile carbon shifts are in the range of 115�25 ppm whereas in isonitriles the shifts are around 155�65 ppm. 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.Recommanded Product: 3-(tert-Butyl)benzonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

2-(2-Thienyl)-5,6-dihydroxy-4-carboxypyrimidines as Inhibitors of the Hepatitis C Virus NS5B Polymerase: Discovery, SAR, Modeling, and Mutagenesis was written by Koch, Uwe;Attenni, Barbara;Malancona, Savina;Colarusso, Stefania;Conte, Immacolata;Di Filippo, Marcello;Harper, Steven;Pacini, Barbara;Giomini, Claudia;Thomas, Steven;Incitti, Ilario;Tomei, Licia;De Francesco, Raffaele;Altamura, Sergio;Matassa, Victor G.;Narjes, Frank. And the article was included in Journal of Medicinal Chemistry in 2006.Recommanded Product: 42137-24-6 This article mentions the following:

Infections caused by hepatitis C virus (HCV) are a significant world health problem for which novel therapies are in urgent demand. The polymerase of HCV is responsible for the replication of viral RNA. The authors recently disclosed dihydroxypyrimidine carboxylates as novel, reversible inhibitors of the HCV NS5B polymerase. This series was further developed into 5,6-dihydroxy-2-(2-thienyl)pyrimidine-4-carboxylic acids such as (I) (EC₅₀ 9.3 μM), which now show activity in the cell-based HCV replication assay. The structure-activity relation of these inhibitors is discussed in the context of their physicochem. properties and of the polymerase crystal structure. We also report the results of mutagenesis experiments which support the proposed binding model, which involves pyrophosphate-like chelation of the active site Mg ions. In the experiment, the researchers used many compounds, for example, 4-Nitrothiophene-2-carbonitrile (cas: 42137-24-6Recommanded Product: 42137-24-6).

4-Nitrothiophene-2-carbonitrile (cas: 42137-24-6) 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.Recommanded Product: 42137-24-6

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts