Vinyl 3-Phenylpropanoate

Base Information

• Chemical Name: Vinyl 3-Phenylpropanoate
• CAS No.: 54519-07-2
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID40474029
• Nikkaji Number: J1.613.806A
• Wikidata: Q65225117
• Mol file: 54519-07-2.mol

Synonyms:Vinyl 3-Phenylpropanoate;54519-07-2;Vinyl3-phenylpropanoate;vinyl benzyl acetate;SCHEMBL347597;DTXSID40474029;AKOS015891271;FT-0689955;Q65225117

Chemical Property of Vinyl 3-Phenylpropanoate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=COC(=O)CCC1=CC=CC=C1

Technology Process of Vinyl 3-Phenylpropanoate

There total 1 articles about Vinyl 3-Phenylpropanoate 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: 87.0%

vinyl acetate (108-05-4,9003-20-7) + 3-Phenylpropionic acid (501-52-0) → vinyl ester of 3-phenylpropionic acid (54519-07-2)

Guidance literature:

With palladium diacetate; In tetrahydrofuran; at 60 ℃; for 16h;

DOI:10.1016/j.molcatb.2012.10.016

Reference yield: 94.0%

methanol (67-56-1) + vinyl ester of 3-phenylpropionic acid (54519-07-2) → 3-phenylpropanoic acid methyl ester (103-25-3)

Guidance literature:

With KCl-Subtilisin Bacillus lentus; In acetonitrile; for 24h; Ambient temperature;

DOI:10.1016/S0957-4166(98)00022-6

Reference yield: 93.0%

vinyl ester of 3-phenylpropionic acid (54519-07-2) + arbutin (497-76-7) → 6'-O-(3-phenylpropionyl)arbutin (1277161-57-5)

Guidance literature:

With immobilized lipase from Penicillium expansum; In tetrahydrofuran; at 50 ℃; for 4h; regioselective reaction; Enzymatic reaction;

DOI:10.1016/j.molcatb.2010.07.003

upstream raw materials:

vinyl acetate

3-Phenylpropionic acid

Downstream raw materials:

3-phenylpropanoic acid methyl ester

(S)-3-phenylpropionic acid 2-octyl ester

(S)-dihydrocinnamic acid 1-phenyl-ethyl ester

(R)-dihydrocinnamic acid 1-phenyl-ethyl ester