2-Phenylethyl cyanoacetate

Base Information

Chemical Name:2-Phenylethyl cyanoacetate
CAS No.:99842-68-9
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
European Community (EC) Number:700-744-2
DSSTox Substance ID:DTXSID80567181
Nikkaji Number:J2.547.606I
Wikidata:Q82452983
Mol file:99842-68-9.mol

Synonyms:2-phenylethyl cyanoacetate;99842-68-9;2-PHENYLETHYL 2-CYANOACETATE;Acetic acid, 2-cyano-, 2-phenylethyl ester;EC 700-744-2;phenethyl cyanoacetate;phenylethylcyanoacetate;SCHEMBL3321151;DTXSID80567181;NZMIRLKHMFERSX-UHFFFAOYSA-N;NS00001290

Suppliers and Price of 2-Phenylethyl cyanoacetate

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 2-Phenylethyl cyanoacetate

Chemical Property:

Boiling Point:102℃ at 13.332Pa
PSA：50.09000
LogP:1.68598
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:223

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Phenylethyl cyanoacetate

There total 5 articles about 2-Phenylethyl cyanoacetate 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: 94.0%

: 99842-68-9
2-phenylethyl cyanoacetate

Guidance literature:

Reference yield: 68.0%

: 60-12-8
2-phenylethanol

: 372-09-8
cyanoacetic acid

: 99842-68-9
2-phenylethyl cyanoacetate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;
DOI:10.1016/j.ejmech.2014.01.049

Reference yield: 40.0%

: 60-12-8
2-phenylethanol

: 105-34-0
methyl 2-cyanoacetate

: 99842-68-9
2-phenylethyl cyanoacetate

Guidance literature:: With 4 A molecular sieve; tetrabutylammonium tricarbonylnitrosylferrate; In hexane; at 80 ℃; for 24h;
DOI:10.1021/ol702580a