(4-Cyanomethyl-phenyl)-acetic acid methyl ester

Base Information

Chemical Name:(4-Cyanomethyl-phenyl)-acetic acid methyl ester
CAS No.:193290-61-8
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID30707176
Wikidata:Q82640849
Mol file:193290-61-8.mol

Synonyms:(4-cyanomethyl-phenyl)-acetic acid methyl ester;193290-61-8;SCHEMBL5844094;DTXSID30707176;GTZIKOIEWPFOKJ-UHFFFAOYSA-N;AKOS006312199;Methyl [4-(cyanomethyl)phenyl]acetate

Suppliers and Price of (4-Cyanomethyl-phenyl)-acetic acid methyl ester

Supply Marketing:

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

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Chemical Property of (4-Cyanomethyl-phenyl)-acetic acid methyl ester

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:233

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CC1=CC=C(C=C1)CC#N

Technology Process of (4-Cyanomethyl-phenyl)-acetic acid methyl ester

There total 2 articles about (4-Cyanomethyl-phenyl)-acetic acid methyl ester 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: 26.0%

: 7398-42-7
methyl 2-(4-(bromomethyl)phenyl)acetate

: 151-50-8
potassium cyanide

: 193290-61-8
(4-cyanomethyl-phenyl)-acetic acid methyl ester

Guidance literature:: In N,N-dimethyl-formamide; at 25 ℃;
DOI:10.1016/j.bmcl.2005.03.020

Reference yield:

: 13737-36-5
4-bromophenylacetic acid

: 193290-61-8
(4-cyanomethyl-phenyl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / EDC; DMAP / tetrahydrofuran / 25 °C

2: 26 percent / dimethylformamide / 25 °C

With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.03.020

Reference yield: 59.0%

: 193290-61-8
(4-cyanomethyl-phenyl)-acetic acid methyl ester

: 683200-41-1
[4-(2-amino-ethyl)-phenyl]-acetic acid methyl ester

Guidance literature:: With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 25 ℃; under 3620.04 Torr;
DOI:10.1016/j.bmcl.2005.03.020