3-(2-Hydroxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Hydroxyphenyl)propanoic acid
• CAS No.: 495-78-3
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29182900
• European Community (EC) Number: 628-707-5
• UNII: CN1RK42MAD
• DSSTox Substance ID: DTXSID2075421
• Nikkaji Number: J6.083F
• Wikidata: Q11751633
• Metabolomics Workbench ID: 46190
• Mol file: 495-78-3.mol

Synonyms:3-(2-hydroxyphenyl)propionic acid;oHPA;ortho-hydroxyphenylpropionic acid

Chemical Property of 3-(2-Hydroxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 4.56E-05mmHg at 25°C
• Melting Point: 86-89 °C(lit.)
• Boiling Point: 335.9 °C at 760 mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 171.2 °C
• PSA: 57.53000
• Density: 1.26 g/cm³
• LogP: 1.40940
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(2-Hydroxyphenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCC(=O)O)O
• Uses: 3-(2-Hydroxyphenyl)propionic acid is suitable as a growth substrate for various strains of E. coli and as a standard in the study of microbial metabolism of catechin stereoisomers.

Technology Process of 3-(2-Hydroxyphenyl)propanoic acid

There total 37 articles about 3-(2-Hydroxyphenyl)propanoic acid 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%

2-hydroxycinnamic acid (495-79-4,583-17-5,614-60-8) → 3-(2-hydroxyphenyl)propionic acid (495-78-3)

Guidance literature:

With hydrogen; potassium hydroxide; In water; at 20 ℃; for 0.5h; under 760.051 Torr; Sealed tube;

DOI:10.1002/aoc.1679

Reference yield: 99.0%

o-Coumaric acid (614-60-8) → 3-(2-hydroxyphenyl)propionic acid (495-78-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 1.5h;

DOI:10.1021/jo00310a019

Reference yield: 96.0%

C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) → 3-(2-hydroxyphenyl)propionic acid (495-78-3)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 5h; Large scale;

upstream raw materials:

o-Coumaric acid

3-(2-chlorophenyl)propanoic acid

3-(2-hydroxyphenyl)propanenitrile

2-methoxy-benzenepropanoic acid

Downstream raw materials:

acetic acid

salicylic acid

3-[2-(acetyloxy)phenyl]propanoic acid

methyl 3-(2-hydroxyphenyl)propionate

Refernces

• 1、 -. "Industrial production method of 4-hydroxy-1-indanone". Paragraph 0019; 0040-0042; 0045-0047; 0050-0052; 0062-0064. . Retrieved 2021/08/14.
• 2、 Peters, Byron K.,Rodriguez, Kevin X.,Reisberg, Solomon H.,Beil, Sebastian B.,Kawamata, Yu,Baran, Phil S.,Hickey, David P.,Klunder, Kevin,Gorey, Timothy J.,Anderson, Scott L.,Minteer, Shelley D.,Collins, Michael,Starr, Jeremy,Chen, Longrui,Udyavara, Sagar,Neurock, Matthew. "Scalable and safe synthetic organic electroreduction inspired by Li-ion battery chemistry". . p. 838 - 845. Retrieved 2019/04/30.