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1-benzyl-1H-indole-3-carbonitrile is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

118959-33-4

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118959-33-4 Usage

Chemical class

Indole derivatives

Structure

Benzyl group attached to the nitrogen atom of the indole ring

Functional group

Carbonitrile (nitrile) attached to the third carbon atom of the indole ring

Potential applications

Organic synthesis, pharmaceuticals, and materials science

Use as a precursor

Synthesis of various biologically active compounds

Chemical reactivity

Carbonitrile group can participate in various chemical reactions

Versatility

Building block for the creation of new molecules with potential pharmacological and industrial applications

Check Digit Verification of cas no

The CAS Registry Mumber 118959-33-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,8,9,5 and 9 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 118959-33:
(8*1)+(7*1)+(6*8)+(5*9)+(4*5)+(3*9)+(2*3)+(1*3)=164
164 % 10 = 4
So 118959-33-4 is a valid CAS Registry Number.

118959-33-4Relevant academic research and scientific papers

Copper-mediated selective cyanation of indoles and 2-phenylpyridines with ammonium iodide and DMF

Kim, Jinho,Kim, Hyunwoo,Chang, Sukbok

, p. 3924 - 3927 (2012)

Copper-mediated regioselective cyanation of indoles and 2-phenylpyridines was developed by using ammonium iodide and DMF as the combined source of a cyano unit under Pd-free conditions. Mechanistic studies indicate that the reaction of indoles proceeds through a two-step sequence: electrophilic initial iodination and then cyanation. The cyanation has a broad substrate scope, high functional group tolerance, and excellent regioselectivity.

Iron-mediated cyanation of methoxybenzene, indole, and 2-arylpyridine C-H bonds

Zhang, Guangyou,Lv, Guanglei,Pan, Changduo,Cheng, Jiang,Chen, Fan

, p. 2991 - 2994 (2011)

An iron-mediated direct cyanation of indole and 2-arylpyridine C-H bonds is described. Notably, trimethoxybenzene reacted smoothly under the procedure, forming a C-CN bond via C-H bond cleavage without chelation assistance. Georg Thieme Verlag Stuttgart · New York.

An insight on the influence of surface Lewis acid sites for regioselective C–H bond C3-cyanation of indole using NH4I and DMF as combined cyanide source over Cu/SBA-15 catalyst

Boosa, Venu,Bilakanti, Vishali,Velisoju, Vijay Kumar,Gutta, Naresh,Inkollu, Sreedhar,Akula, Venugopal

, p. 43 - 51 (2018)

The Cu dispersed on mesoporous SBA-15 has demonstrated the regioselective C–H bond C3-cyanation of indoles by in-situ generation of –CN using DMF and NH4I in presence of O2. Pyridine adsorbed diffuse reflectance infrared spectroscopy (DRIFTS) results revealed that surface Cu2+ species are acting as Lewis acid sites in the in-situ generation of cyano- group for the synthesis of indole nitriles. A direct correlation between Cu metal surface area and the indole nitrile yields are established and the dual role of copper is substantiated by N2O titration and XPS techniques. The 10 wt%Cu/SBA-15 demonstrated superior performance when compared to Pd, Ru supported on SBA-15. The 10 wt%Cu/SBA-15 catalyst showed consistent activity and selectivity after the 4th cycle.

Copper-mediated cyanation of indoles and electron-rich arenes using DMF as a single surrogate

Zhang, Lianpeng,Lu, Ping,Wang, Yanguang

, p. 8322 - 8329 (2015)

The copper-mediated cyanation of indoles with DMF as a single surrogate has been realized. This approach could be applied for the cyanation of some electron-rich arenes and aryl aldehydes as well. Aryl aldehydes were demonstrated to be the key intermediates in the cascade process of cyanation of indoles and electron-rich arenes.

Copper-mediated C3-cyanation of indoles by the combination of amine and ammonium

Liu, Bin,Wang, Jiehui,Zhang, Bo,Sun, Yang,Wang, Lei,Chen, Jianbin,Cheng, Jiang

, p. 2315 - 2317 (2014)

A copper-promoted C3-cyanation of both the free N-H and N-protected indoles by N,N,N′,N′-tetramethyl-ethane-1,2-diamine (TMEDA) and ammonium is achieved. The iminium ion acts as the intermediate in this transformation, which is sequentially electrophilically attacked by indole and H2O followed by hydrolyzation to form the aldehyde. Then the reaction between the aldehyde and ammonium afforded nitriles. The reaction employs O2 as a clean oxidant with good efficiency and functional group tolerance. Thus, it represents a facile and safe procedure leading to 3-cyano indoles. The Royal Society of Chemistry 2014.

Decarbonylative Synthesis of Aryl Nitriles from Aromatic Esters and Organocyanides by a Nickel Catalyst

Iizumi, Keiichiro,Kurosawa, Miki B.,Isshiki, Ryota,Muto, Kei,Yamaguchi, Junichiro

supporting information, p. 1555 - 1559 (2020/11/10)

A decarbonylative cyanation of aromatic esters with aminoacetonitriles in the presence of a nickel catalyst was developed. The key to this reaction was the use of a thiophene-based diphosphine ligand, dcypt, permitting the synthesis of aryl nitrile without the generation of stoichiometric metal- or halogen-containing chemical wastes. A wide range of aromatic esters, including hetarenes and pharmaceutical molecules, can be converted into aryl nitriles.

Copper-Catalyzed One-Pot Synthesis of Quinazolinones from 2-Nitrobenzaldehydes with Aldehydes: Application toward the Synthesis of Natural Products

Pal, Shantanu,Sahoo, Subrata

, p. 18067 - 18080 (2021/12/06)

A novel, efficient, and atom-economical approach for the construction of quinazolinones from 2-nitrobenzaldehydes has been unveiled via copper-catalyzed nitrile formation, hydrolysis, and reduction in one pot for the first time. In this reaction, urea is used as a source of nitrogen for nitrile formation, hydrazine hydrate is used for both the reduction of the nitro group and the hydrolysis of nitrile, and atmospheric oxygen is used as the sole oxidant. The method portrays a wide substrate scope with good functional group tolerances. Moreover, this method was applied for the synthesis of schizocommunin, tryptanthrin, phaitanthrin-A, phaitanthrin-B, and 8H-quinazolino[4,3-b]quinazolin-8-one.

Direct C-2 Carboxylation of 3-Substituted Indoles Using a Combined Br?nsted Base Consisting of LiO-tBu/CsF/18-crown-6

Shigeno, Masanori,Tohara, Itsuki,Nozawa-Kumada, Kanako,Kondo, Yoshinori

supporting information, p. 1987 - 1991 (2020/04/09)

Herein, we report that a combination of LiO-tBu, CsF, and 18-crown-6 can be used to carry out the carboxylation of indole derivatives at the C-2 position under an ambient CO2 atmosphere. Substrates bearing an electrophilic substituent (i.e., cyano, formyl, benzoyl, phenylsulfonyl, phenylsulfinyl, and chloride) at the C-3 position are smoothly converted into their corresponding carboxylated products with high functional group compatibility.

The palladium-catalyzed direct C3-cyanation of indoles using acetonitrile as the cyanide source

Feng, Kejun,Li, Qiang,Li, Yuanhua,Liu, Bifu,Liu, Min,Zhou, Yongbo

, p. 6108 - 6114 (2020/10/21)

The ligand-free palladium-catalyzed C3-cyanation of indoles via direct C-H functionalization was achieved. This protocol, utilizing CH3CN as a green and readily available cyanide source, produced the desired products in moderate to good yields through transition-metal-catalyzed C-CN bond cleavage. This journal is

Photocatalytic Conversion of Benzyl Alcohols/Methyl Arenes to Aryl Nitriles via H-Abstraction by Azide Radical

Shee, Maniklal,Shah, Sk. Sheriff,Singh, N. D. Pradeep

supporting information, p. 14070 - 14074 (2020/10/12)

This report presents the visible-light-assisted synthesis of aryl nitriles from easily accessible alcohols or methyl arenes in the presence of O2. Organic photoredox catalyst, 4CzIPN (1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene), induces single electron transfer (SET) from azide N3? and generates azide radical N3?.The photogenerated N3? abstracts H atom from α-C?H bond of benzylic system, which provides aldehyde and hydrazoic acid (HN3) in situ. This reaction subsequently forms azido alcohol intermediate that transforms into nitrile with the assistance of triflic acid (Br?nsted acid). A range of alcohols and methyl arenes successfully underwent cyanation at room temperature with good to excellent yields and showed good functional group tolerance.

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