Allyl 3-phenylpropionate

Base Information

• Chemical Name: Allyl 3-phenylpropionate
• CAS No.: 15814-45-6
• Deprecated CAS: 874992-31-1,1781247-59-3
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• Hs Code.: 2916399090
• European Community (EC) Number: 239-913-6
• DSSTox Substance ID: DTXSID3065950
• Nikkaji Number: J103.855I
• Wikidata: Q65224684
• Mol file: 15814-45-6.mol

Synonyms:Allyl 3-phenylpropionate;15814-45-6;Hydrocinnamic acid, allyl ester;prop-2-enyl 3-phenylpropanoate;Benzenepropanoic acid, 2-propenyl ester;EINECS 239-913-6;Benzenepropanoic acid, 2-propen-1-yl ester;Allyl 3-phenylpropanoate #;SCHEMBL250955;DTXSID3065950;3-Phenylpropanoic acid allyl ester;3-phenyl-propionic acid allyl ester;3-Phenylpropionic acid, allyl ester;Q65224684

Chemical Property of Allyl 3-phenylpropionate

Chemical Property:

• Vapor Pressure: 0.00544mmHg at 25°C
• Boiling Point: 274.3°C at 760 mmHg
• Flash Point: 115.9°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 2.34840
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Allyl 3-phenylpropionate

There total 26 articles about Allyl 3-phenylpropionate 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%

Benzyl 3-phenylpropionate (22767-96-0) + allyl alcohol (107-18-6) → allyl 3-phenylpropionate (15814-45-6) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

2[{Cl(C₆F₁₃CH₂CH₂)2SnOSn(CH₂CH₂C₆F₁₃)2Cl}2]; In various solvent(s); at 150 ℃; for 16h;

DOI:10.1002/1521-3773(20011001)40:19<3670::AID-ANIE3670>3.0.CO;2-9

Reference yield: 100.0%

Benzyl 3-phenylpropionate (22767-96-0) + allyl alcohol (107-18-6) → allyl 3-phenylpropionate (15814-45-6)

Guidance literature:

[Cl(C₆F₁₃C₂H₄)2SnOSn(C₂H₄C₆F₁₃)2Cl]2; In various solvent(s); at 150 ℃; for 16h;

DOI:10.1002/1615-4169(200201)344:1<84::AID-ADSC84>3.0.CO;2-C

Reference yield: 97.0%

allyl alcohol (107-18-6) + 3-Phenylpropionic acid (501-52-0) → allyl 3-phenylpropionate (15814-45-6)

Guidance literature:

With N,N'-dimethylaminopyridine; di-tert-butyl dicarbonate; In nitromethane; at 50 ℃; for 16h;

DOI:10.1055/s-2003-44986

upstream raw materials:

allyl alcohol

3-Phenylpropionic acid

S-ethyl 3-phenylpropionic acid thioester

Benzyl 3-phenylpropionate

Downstream raw materials:

allyl 3-allyloxycarbonyl-2-oxo-4-phenylbutanoate

(R)-2-phenylmethylpent-4-enoic acid

(S)-2-phenylmethylpent-4-enoic acid

3-Phenylpropionic acid