2-(4-Bromo-3-methoxyphenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Bromo-3-methoxyphenyl)acetonitrile
• CAS No.: 113081-50-8
• Molecular Formula: C9H8BrNO
• Molecular Weight: 226.06992
• DSSTox Substance ID: DTXSID701289949
• Mol file: 113081-50-8.mol

Synonyms:2-(4-bromo-3-methoxyphenyl)acetonitrile;113081-50-8;4-bromo-3-methoxyphenylacetonitrile;Benzeneacetonitrile, 4-bromo-3-methoxy-;SCHEMBL10345419;AITZSRHOUYDLOM-UHFFFAOYSA-N;DTXSID701289949;4-Bromo-3-methoxybenzeneacetonitrile;MFCD06797367;AS-37968;CS-0202569;EN300-1893272

Chemical Property of 2-(4-Bromo-3-methoxyphenyl)acetonitrile

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.97893
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Bromo-3-methoxyphenyl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-Bromo-3-methoxyphenyl)acetonitrile

There total 7 articles about 2-(4-Bromo-3-methoxyphenyl)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: 86.0%

1-bromo-4-(chloromethyl)-2-methoxybenzene (113081-49-5) + trimethylsilyl cyanide (7677-24-9) → 2-(4-bromo-3-methoxyphenyl)acetonitrile (113081-50-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In acetonitrile; at 25 ℃; for 36h;

Reference yield: 80.0%

3-methoxyphenylacetonitrile (19924-43-7) → 2-(4-bromo-3-methoxyphenyl)acetonitrile (113081-50-8)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; In water; acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1021/ol902157c

Reference yield:

1-bromo-4-(chloromethyl)-2-methoxybenzene (113081-49-5) → 2-(4-bromo-3-methoxyphenyl)acetonitrile (113081-50-8)

Guidance literature:

In ethanol; water;

upstream raw materials:

1-bromo-4-(chloromethyl)-2-methoxybenzene

3-methoxyphenylacetonitrile

4-bromo-3-methoxy-benzoic acid

(4-bromo-3-methoxyphenyl)methanol