917207-79-5

Basic information

• Product Name: 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE
• Synonyms: 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE;OTAVA-BB 7020690197;1-ethyl-2-methyl-1H-indole-3-carbonitrile(SALTDATA: FREE)
• CAS NO: 917207-79-5
• Molecular Formula: C12H12N2
• Molecular Weight: 184.24
• Mol File: 917207-79-5.mol

Chemical Properties

• Boiling Point: 352.4°C at 760 mmHg
• Flash Point: 166.9°C
• Appearance: /
• Density: 1.05g/cm³
• Vapor Pressure: 3.86E-05mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE(917207-79-5)
• EPA Substance Registry System: 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE(917207-79-5)

Safety Data

• Hazardous Substances Data: 917207-79-5(Hazardous Substances Data)

Usage

Molecular weight

184.24 g/mol The molecular weight of the compound is 184.24 grams per mole.

Appearance

Yellow to brown solid The compound appears as a yellow to brown solid substance.

Usage

Synthesis of pharmaceuticals and agrochemicals 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE is used in the synthesis of various pharmaceutical and agrochemical products.

Bioactivity

Potential bioactivity The compound is known for its potential bioactivity, which may have applications in the development of new drugs or treatments.

Structure

Ethyl and methyl groups on the indole ring The compound's structure features an ethyl group and a methyl group attached to the indole ring.

Carbonitrile group

3-position on the ring The carbonitrile group is located at the 3-position of the indole ring, which may influence its chemical properties and reactivity.

Primary use

Intermediate in drug and agricultural chemical production 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE is mainly used as an intermediate in the production of various drugs and agricultural chemicals.

InChI:InChI=1/C12H12N2/c1-3-14-9(2)11(8-13)10-6-4-5-7-12(10)14/h4-7H,3H2,1-2H3

Upstream product

• 40876-94-6 1-ethyl-2-methylindole 
• 140-29-4 phenylacetonitrile 
• 135205-66-2 N?cyanosuccinimide 
• 66727-64-8 1-ethyl-2-methyl-1H-indole-3-carboxaldehyde 
• 68-12-2 N,N-dimethyl-formamide 

Relevant articles and documents

GaCl3-Catalyzed C-H Cyanation of Indoles with N-Cyanosuccinimide

An efficient GaCl3-catalyzed direct cyanation of indoles and pyrroles using bench-stable electrophilic cyanating agent N-cyanosuccinimide was achieved and afforded 3-cyanoindoles and 2-cyanopyrroles in good yields and excellent regioselectivities. Notably, this protocol exhibited high reactivity for unprotected indoles and was applicable to a broad range of indole and pyrrole substrates.

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

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.

Cyanation of indoles with benzyl cyanide as the cyanide anion surrogate

A copper-mediated direct cyanation of indoles with benzyl cyanide as the cyanide anion surrogate has been achieved. The cascade reaction furnished 3-cyanoindoles under mild reaction conditions in good to excellent yields with various functional groups tolerance.

Palladium-catalyzed direct cyanation of indoles with K4[Fe(CN) 6]

"Chemical equation presented" Direct cyanation of Indole derivatives has been achieved with nontoxic K4[Fe(CN)6] as cyanating agent through Pd-catalyzed C-H bond activation.