2-(2-Bromo-3,4-dimethoxyphenyl)acetonitrile

Base Information

Chemical Name:2-(2-Bromo-3,4-dimethoxyphenyl)acetonitrile
CAS No.:72912-39-1
Molecular Formula:C₁₀H₁₀BrNO₂
Molecular Weight:256.099
Hs Code.:
DSSTox Substance ID:DTXSID301276142

Synonyms:2-(2-bromo-3,4-dimethoxyphenyl)acetonitrile;72912-39-1;SCHEMBL150075;DTXSID301276142;AKOS022665275;2-Bromo-3,4-dimethoxybenzeneacetonitrile;Z600583798

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(2-Bromo-3,4-dimethoxyphenyl)acetonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:254.98949
Heavy Atom Count:14
Complexity:225

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C(=C(C=C1)CC#N)Br)OC

Technology Process of 2-(2-Bromo-3,4-dimethoxyphenyl)acetonitrile

There total 10 articles about 2-(2-Bromo-3,4-dimethoxyphenyl)acetonitrile 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: 90.0%

: potassium cyanide

: 7477-50-1
2-bromo-1-chloromethyl-3,4-dimethoxy-benzene

: 72912-39-1
(2-bromo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: In dimethyl sulfoxide;
DOI:10.1016/j.bmcl.2012.08.123

Reference yield:

: 72912-38-0
(2-bromo-3,4-dimethoxyphenyl)methanol

: 72912-39-1
(2-bromo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / benzene / 20 °C

2: dimethylsulfoxide; benzene / 2 h

With thionyl chloride; In dimethyl sulfoxide; benzene; 1: Substitution / 2: Substitution;
DOI:10.1021/jo982451w

Reference yield:

: 55171-60-3
2-bromo-3,4-dimethoxybenzylaldehyde

: 72912-39-1
(2-bromo-3,4-dimethoxyphenyl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / NaBH₄ / tetrahydrofuran; methanol / 2 h

2: SOCl₂ / benzene / 20 °C

3: dimethylsulfoxide; benzene / 2 h

With sodium tetrahydroborate; thionyl chloride; In tetrahydrofuran; methanol; dimethyl sulfoxide; benzene; 1: Reduction / 2: Substitution / 3: Substitution;
DOI:10.1021/jo982451w