alpha-(3-Chloromethylphenoxy)acetonitrile

Base Information

Chemical Name:alpha-(3-Chloromethylphenoxy)acetonitrile
CAS No.:123226-31-3
Molecular Formula:C₉H₈ClNO
Molecular Weight:181.622
Hs Code.:
DSSTox Substance ID:DTXSID201279898

Synonyms:alpha-(3-chloromethylphenoxy)acetonitrile;SCHEMBL4849887;ZUCCMZSEPQEVNF-UHFFFAOYSA-N;DTXSID201279898;AKOS009225551;2-[3-(chloromethyl)phenoxy]acetonitrile;123226-31-3

Suppliers and Price of alpha-(3-Chloromethylphenoxy)acetonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of alpha-(3-Chloromethylphenoxy)acetonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:181.0294416
Heavy Atom Count:12
Complexity:175

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)OCC#N)CCl

Technology Process of alpha-(3-Chloromethylphenoxy)acetonitrile

There total 2 articles about alpha-(3-Chloromethylphenoxy)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:

: 123226-30-2
α-(3-Hydroxymethylphenoxy)acetonitrile

: 123226-31-3
α-(3-chloromethylphenoxy)acetonitrile

Guidance literature:: With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; for 16h; Ambient temperature;
DOI:10.1021/jm00166a017

Reference yield:

: 620-24-6
3-Hydroxybenzyl alcohol

: 123226-31-3
α-(3-chloromethylphenoxy)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetone; dimethylformamide / 72 h / Heating

2: SOCl₂, DMF / CH₂Cl₂ / 16 h / Ambient temperature

With thionyl chloride; potassium carbonate; N,N-dimethyl-formamide; In dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00166a017