p-Hydroxyphenyl propanoate

Base Information

• Chemical Name: p-Hydroxyphenyl propanoate
• CAS No.: 3233-34-9
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2915509000
• DSSTox Substance ID: DTXSID201308223
• Nikkaji Number: J688.362A
• Mol file: 3233-34-9.mol

Synonyms:p-Hydroxyphenyl propanoate;3233-34-9;(4-hydroxyphenyl) Propanoate;p-Hydroxyphenylpropanoate;4-hydroxyphenyl propionate;4-hydroxyphenyl propanoate;SCHEMBL361899;1,4-Benzenediol, 1-propanoate;DTXSID201308223;CS-B0171;Propionic acid 4-hydroxyphenyl ester;AKOS006307573;CS-16857

Chemical Property of p-Hydroxyphenyl propanoate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 283.066°C at 760 mmHg
• PKA: 9.36±0.15(Predicted)
• Flash Point: 122.259°C
• PSA: 46.53000
• Density: 1.17g/cm³
• LogP: 1.70760
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

p-Hydroxyphenylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=C(C=C1)O

Technology Process of p-Hydroxyphenyl propanoate

There total 7 articles about p-Hydroxyphenyl propanoate 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: 83.3%

Propionic acid 4-benzyloxy-phenyl ester (6628-99-5) → methyl 4-hydroxyphenyl acetate (3233-34-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 52 ℃; for 3h; under 2585.7 Torr;

Reference yield: 51.0%

propionyl chloride (79-03-8) + hydroquinone (123-31-9,8027-02-9) → methyl 4-hydroxyphenyl acetate (3233-34-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 2h;

DOI:10.1021/jf0499018

Reference yield: 15.0%

hydroquinone dipropionate ester (7402-28-0) → methyl 4-hydroxyphenyl acetate (3233-34-9)

Guidance literature:

With porcine pancreatic lipase; In benzene; at 28 - 30 ℃; for 2h;

DOI:10.1016/0960-894X(96)00411-8

upstream raw materials:

propionic acid anhydride

hydroquinone

Propionic acid 4-benzyloxy-phenyl ester

hydroquinone dipropionate ester

Downstream raw materials:

2-(4-hydroxyphenyl)acetamide

4-(4-carboxy-1,2,5-trimethyl-3-pyrrylmethoxy)phenylacetic acid

4-[(5-trifluoromethylpyridin-2-yl)oxy]phenylacetic acid

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

Refernces

• 1、 Jung, Hee Kim,Park, Eun-Soo,Jae, Hun Shim,Kim, Mal-Nam,Moon, Woong-Sik,Chung, Kyoo-Hyun,Yoon, Jin-San. "Antimicrobial activity of p-hydroxyphenyl acrylate derivatives". . p. 7480 - 7483. Retrieved 2007/10/03.
• 2、 Parmar, Virinder S.,Pati, Hari N.,Sharma, Sunil K.,Singh, Amarjit,Malhotra, Sanjay,Kumar, Ajay,Bisht, Kirpal S.. "Hydrolytic reactions on polyphenolic perpropanoates by porcine pancreatic lipase immobilized in microemulsion-based gels". . p. 2269 - 2274. Retrieved 2007/10/03.