3,4-Dimethoxybenzoyl cyanide

Base Information

• Chemical Name: 3,4-Dimethoxybenzoyl cyanide
• CAS No.: 65961-86-6
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.186
• NSC Number: 110566
• DSSTox Substance ID: DTXSID70984444
• Wikidata: Q82971683

Synonyms:3,4-dimethoxybenzoyl cyanide;65961-86-6;NSC110566;3,4-dimethoxybenzoylcyanide;SCHEMBL976684;DTXSID70984444;ZUDVDNNIRVQAGO-UHFFFAOYSA-N;NSC-110566;3,4-Dimethoxybenzene-1-carbonyl cyanide

Chemical Property of 3,4-Dimethoxybenzoyl cyanide

Chemical Property:

• Vapor Pressure: 0.000538mmHg at 25°C
• Boiling Point: 312.2°Cat760mmHg
• Flash Point: 135.5°C
• Density: 1.177g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C#N)OC

Technology Process of 3,4-Dimethoxybenzoyl cyanide

There total 6 articles about 3,4-Dimethoxybenzoyl cyanide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

2-(3,4-dimethoxyphenyl)-2-hydroxyacetonitrile (6309-18-8) → (3,4-dimethoxy-phenyl)-glyoxylonitrile (65961-86-6)

Guidance literature:

With tert.-butylhydroperoxide; tris(triphenylphosphine)ruthenium(II) chloride; In benzene; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(00)61966-4

Reference yield: 85.3%

copper(I) cyanide (544-92-3) + 3,4-dimethoxybenzoic acid chloride (3535-37-3) → (3,4-dimethoxy-phenyl)-glyoxylonitrile (65961-86-6)

Guidance literature:

With Celite; In toluene; acetonitrile; for 1.5h; Heating / reflux;

Reference yield: 85.3%

copper(l) cyanide + 3,4-dimethoxybenzoic acid chloride (3535-37-3) → (3,4-dimethoxy-phenyl)-glyoxylonitrile (65961-86-6)

Guidance literature:

In toluene; acetonitrile; for 1.5h; Molecular sieve; Reflux;

upstream raw materials:

hydrogen cyanide

3,4-dimethoxybenzoic acid chloride

2-(3,4-dimethoxyphenyl)-2-hydroxyacetonitrile

copper(I) cyanide

Downstream raw materials:

2-amino-1-(3,4-dimethoxy-phenyl)-ethanol

3,4-dimethoxyphenylglyoxylic acid

2-amino-1-(3,4-dimethoxy-phenyl)-ethanone

N¹,N⁸-bis(3,4-dimethoxybenzoyl)spermidine

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