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1H-Indole-3-acetonitrile, a,a-dimethyl-, also known as a,a-dimethyl-1H-indole-3-acetonitrile, is a chemical compound with the molecular formula C12H12N2. It is a derivative of indole, an aromatic heterocyclic compound. This versatile chemical intermediate is known for its potential biological activities and applications in various fields, including pharmaceuticals, agrochemicals, and organic synthesis.

23078-29-7

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23078-29-7 Usage

Uses

Used in Pharmaceutical Industry:
1H-Indole-3-acetonitrile, a,a-dimethylis used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure and properties make it a valuable building block in the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, 1H-Indole-3-acetonitrile, a,a-dimethylis utilized as a precursor for the synthesis of agrochemicals. Its potential as a plant growth regulator highlights its importance in the development of new agricultural products.
Used in Organic Synthesis:
1H-Indole-3-acetonitrile, a,a-dimethylis employed as a versatile intermediate in organic synthesis. Its reactivity and functional groups allow for the preparation of a wide range of organic compounds, contributing to the advancement of chemical research and development.
Used in Cancer Therapy Research:
This chemical compound has been studied for its potential role in cancer therapy. Its biological activities and interactions with cellular targets make it a promising candidate for further research and development in the field of oncology.
Used in Precursor to Biologically Active Molecules:
1H-Indole-3-acetonitrile, a,a-dimethylserves as a precursor to other biologically active molecules. Its ability to be modified and incorporated into various chemical structures allows for the exploration of new compounds with potential therapeutic and biological applications.

Check Digit Verification of cas no

The CAS Registry Mumber 23078-29-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,0,7 and 8 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 23078-29:
(7*2)+(6*3)+(5*0)+(4*7)+(3*8)+(2*2)+(1*9)=97
97 % 10 = 7
So 23078-29-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H12N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,1-2H3

23078-29-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(1H-indol-3-yl)-2-methylpropanenitrile

1.2 Other means of identification

Product number -
Other names 2-indol-3-yl-2-methyl-propionitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:23078-29-7 SDS

23078-29-7Relevant academic research and scientific papers

Tris(pentafluorophenyl)borane-Catalyzed Formal Cyanoalkylation of Indoles with Cyanohydrins

Kiyokawa, Kensuke,Minakata, Satoshi,Urashima, Naruyo

, p. 8389 - 8401 (2021/06/28)

Despite the significant achievements related to the C3 functionalization of indoles, cyanoalkylation reactions continue to remain rather limited. We herein report on the formal C3 cyanoalkylation of indoles with cyanohydrins in the presence of a tris(pentafluorophenyl)borane (B(C6F5)3) catalyst. It is noteworthy that cyanohydrins are used as a cyanoalkylating reagent in the present reaction, even though they are usually used as only a HCN source. Mechanistic investigations revealed the unique reactivity of the B(C6F5)3 catalyst in promoting the decomposition of a cyanohydrin by a Lewis acidic activation through the coordination of the cyano group to the boron center. In addition, a catalytic three-component reaction using indoles, aldehydes as a carbon unit, and acetone cyanohydrin that avoids the discrete preparation of each aldehyde-derived cyanohydrin is also reported. The developed methods provide straightforward, highly efficient, and atom-economic access to various types of synthetically useful indole-3-acetonitrile derivatives containing α-tertiary or quaternary carbon centers.

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