Methyl 2-(2-cyanoethyl)benzoate

Base Information

Chemical Name:Methyl 2-(2-cyanoethyl)benzoate
CAS No.:82234-95-5
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID60512710
Wikidata:Q82372075

Synonyms:Methyl 2-(2-cyanoethyl)benzoate;82234-95-5;SCHEMBL21958010;DTXSID60512710;EN300-1794384

Suppliers and Price of Methyl 2-(2-cyanoethyl)benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Methyl 2-(2-cyanoethyl)benzoate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:241

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1CCC#N

Technology Process of Methyl 2-(2-cyanoethyl)benzoate

There total 5 articles about Methyl 2-(2-cyanoethyl)benzoate 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: 100.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 51908-28-2
2-(β-cyanoethyl)benzoic acid

: 82234-95-5
methyl 2-(β-cyanoethyl)benzoate

Guidance literature:: In diethyl ether; 1.) 0 deg C, 2.) room temperature;

Reference yield:

: methyl 2-[(1E)-2-cyanoeth-1-en-1-yl]benzoate

: 82234-95-5
methyl 2-(β-cyanoethyl)benzoate

Guidance literature:: With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 16h; Time;

Reference yield:

: 610-94-6
2-bromobenzoic acid methyl ester

: 82234-95-5
methyl 2-(β-cyanoethyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; bis(tributylphosphine) palladium / 16 h / 80 °C

2: palladium on activated charcoal; hydrogen / methanol / 16 h / 20 °C

With bis(tributylphosphine) palladium; palladium on activated charcoal; hydrogen; N-ethyl-N,N-diisopropylamine; In methanol;