30078-01-4

Basic information

• Product Name: 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile
• Synonyms: 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile;3-Methoxy-2-(3,4,5-trimethoxybenzyl)acrylonitrile
• CAS NO: 30078-01-4
• Molecular Formula: C₁₄H₁₇NO₄
• Molecular Weight: 265.30496
• EINECS: 250-032-6
• Mol File: 30078-01-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 437.4°C at 760 mmHg
• Flash Point: 174.7°C
• Appearance: /
• Density: 1.111g/cm³
• Vapor Pressure: 7.51E-08mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile(30078-01-4)
• EPA Substance Registry System: 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile(30078-01-4)

Safety Data

• Hazardous Substances Data: 30078-01-4(Hazardous Substances Data)

Usage

Family

Propiononitriles

Appearance

White crystalline powder

Uses

Organic synthesis and pharmaceutical research

Structure

Contains propiononitrile group and multiple methoxy groups attached to a benzyl moiety

Potential therapeutic properties

May have uses in drug development for various medical conditions

Safety precautions

Proper handling and usage measures must be followed.

InChI:InChI=1/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h6-7,9H,5H2,1-4H3/b11-9-

Upstream product

• 86-81-7 3,4,5-trimethoxy-benzaldehyde 
• 7520-69-6 3,4,5-trimethoxy-2'-(methoxymethyl)cinnamonitrile 
• 124-41-4 sodium methylate 

Relevant articles and documents

Syntheses of Antibacterial 2,4-Diamino-5-benzylpyrimidines. Ormetoprim and Trimethoprim

A general and mild method for the synthesis of 2,4-diamino-5-benzylpyrimidines was achieved by the Friedel-Crafts reaction between 2-(methoxymethylene)-3-methoxypropanenitrile (10) and an activated aromatic substrate followed by treatment with guanidine.The method is illustrated by a synthesis of ormetoprim (2) in 75percent overall yield from 3,4-dimethoxytoluene (12).Efficient syntheses of trimethoprim (1) and 2 were also accomplished via prior base-catalyzed 1,3-prototropic isomerization of cinnamonitriles 19 and 20, respectively, followed by condensation with guanidine. 12 was prepared from 3-bromo-4-methoxytoluene by a Cu(I)-catalyzed displacement of bromine by methoxide and 4,5-dimethoxy-2-methylbenzaldehyde was obtained from 12 in 87percent yield by a pyridine-catalyzed Vilsmeier reaction using DMF-POCl3.