35249-62-8

Basic information

• Product Name: 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE
• Synonyms: 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE
• CAS NO: 35249-62-8
• Molecular Formula: C₁₁H₁₂BrNO₂
• Molecular Weight: 270.12248
• EINECS: 609-105-1
• Mol File: 35249-62-8.mol

Chemical Properties

• Boiling Point: 379.4°Cat760mmHg
• Flash Point: 183.3°C
• Appearance: /
• Density: 1.375g/cm³
• Vapor Pressure: 5.87E-06mmHg at 25°C
• Refractive Index: 1.537
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE(35249-62-8)
• EPA Substance Registry System: 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE(35249-62-8)

Safety Data

• Hazardous Substances Data: 35249-62-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE is used as an intermediate in the synthesis of complex molecules for pharmaceutical applications. Its unique structure and reactivity contribute to the development of new drugs and organic compounds with potential therapeutic properties.
Used in Research and Development:
This chemical compound is primarily utilized in research and development settings, where its properties are explored and harnessed to create innovative solutions in the field of chemistry and related industries. Its limited commercial availability underscores its specialized use in scientific exploration and experimentation.

InChI:InChI=1/C11H12BrNO2/c1-14-10-6-8(4-3-5-13)9(12)7-11(10)15-2/h6-7H,3-4H2,1-2H3

Upstream product

• 1208977-77-8 2-bromo-4,5-dimethoxycinnamonitrile 
• 41234-20-2 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanopropionic acid 
• 49621-56-9 3-(3,4-dimethoxyphenyl)propanenitrile 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 37629-85-9 (2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile 
• 2859-78-1 4-Bromoveratrole 
• 93-03-8 (3,4-dimethoxyphenyl)methanol 
• 53207-00-4 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene 
• 75-05-8 acetonitrile 

Downstream Products

• 84003-65-6 3-(2-bromo-4,5-dihydroxyphenyl)propionitrile 
• 84003-66-7 3,4-bis(benzyloxy)-7-(hydroxymethyl)bicyclo<4.2.0>octa-1,3,5-triene 
• 81615-14-7 3,4-bis(benzyloxy)bicyclo<4.2.0>octa-1,3,5-triene-7-carbonitrile 
• 81615-15-8 3,4-bis(benzyloxy)bicyclo<4.2.0>octa-1,3,5-triene-7-carboxylic acid 
• 81615-17-0 3,4-bis(benzyloxy)bicyclo<4.2.0>octa-1,3,5-triene-7-carboxylic acid chloride 
• 81615-12-5 3-<2-bromo-4,5-bis(benzyloxy)phenyl>propionitrile 
• 84003-88-3 3,4-bis(benzyloxy)-N-methyl-N-(2-oxoethyl)bicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 
• 84003-85-0 3,4-bis(benzyloxy)-N-(2-hydroxyethyl)-N-methylbicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 
• 84003-68-9 3,4-bis(benzyloxy)-7-<<2,2-(dimethoxyethyl)amino>methyl>-bicyclo<4.2.0>octa-1,3,5-triene 
• 84003-84-9 3,4-bis(benzyloxy)-N-(2-hydroxyethyl)-N-propylbicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 
• 84003-76-9 3,4-bis(benzyloxy)-N-(2-oxoethyl)-N-propylbicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 
• 84003-70-3 3,4-bis(benzyloxy)-7-<<(methoxycarbonyl)(2-oxoethyl)amino>methyl>-bicyclo<4.2.0>octa-1,3,5-triene 
• 84003-74-7 3,4-bis(benzyloxy)-N-(2,2-dimethoxyethyl)-bicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 
• 84003-89-4 3,4-bis(benzyloxy)-N-benzyl-N-(2-oxoethyl)bicyclo<4.2.0>octa-1,3,5-triene-7-carboxamide 

Relevant articles and documents

PROCESS FOR THE SYNTHESIS OF 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID

Process for the synthesis of the compound of formula (I): Application in the synthesis of ivabradine, addition salts thereof with a pharmaceutically acceptable acid and hydrates thereof.

PROCESS FOR THE SYNTHESIS OF (2E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENENITRILE, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID

Process for the synthesis of the compound of formula (I): Application in the synthesis of ivabradine, addition salts thereof with a pharmaceutically acceptable acid and hydrates thereof.

PROCESS FOR THE SYNTHESIS OF 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID

Process for the synthesis of the compound of formula (I): Application in the synthesis of ivabradine, addition salts thereof with a pharmaceutically acceptable acid and hydrates thereof.

A practical synthesis of 1-cyano-4,5-dimethoxybenzocyclobutene

A practical synthesis of 1-cyano-4,5-dimethoxybenzocyclobutene, the key intermediate of Ivabradine, was developed in four or five steps using two different routes. 2-Bromo-4,5-dimethoxyhydrocinnamonitrile was produced via the condensation of 2-bromo-4,5-dimethoxybenzaldehyde with acetonitrile or cyanoacetic acid and reduction by NaBH4. Cyclisation gave 1-cyano-4,5-dimethoxybenzocyclobutene. Overall yields of the routes A and B were 30% and 37% respectively. Route B is a short and simple route, permitting the synthesis of 1-cyano-4,5-dimethoxybenzocyclobutene on a large scale.