3-(4-Hydroxyphenyl)butanoic acid

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)butanoic acid
• CAS No.: 6739-21-5
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 669-204-0
• NSC Number: 25822
• DSSTox Substance ID: DTXSID10282416
• Mol file: 6739-21-5.mol

Synonyms:3-(4-hydroxyphenyl)butanoic acid;6739-21-5;Benzenepropanoic acid,4-hydroxy-b-methyl-;NSC25822;Oprea1_311284;3-(4hydroxyphenyl)butyric acid;SCHEMBL1162528;3-(4-hydroxyphenyl)butyric acid;DTXSID10282416;JZOJWPRZSMYTTI-UHFFFAOYSA-N;NSC-25822;STL525652;AKOS021984364;EN300-1829511

Chemical Property of 3-(4-Hydroxyphenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 3.74E-05mmHg at 25°C
• Melting Point: 136-136.5 °C
• Boiling Point: 338.8°C at 760 mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 172.9°C
• PSA: 57.53000
• Density: 1.208g/cm³
• LogP: 1.97040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-HYDROXYPHENYL)BUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Hydroxyphenyl)butanoic acid

There total 7 articles about 3-(4-Hydroxyphenyl)butanoic 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:

→ 3-(4-hydroxy-phenyl)-butyric acid (6739-21-5,22915-78-2)

Guidance literature:

With hydrogen bromide; acetic acid; racemat;

DOI:10.1021/ja01162a077 DOI:10.1021/ja01143a020

Reference yield:

→ 3-(4-hydroxy-phenyl)-butyric acid (6739-21-5,22915-78-2)

Guidance literature:

With brucine; dextrorotatory stereoisomer(ic);

DOI:10.1021/ja01143a020

Reference yield:

3-(4-methoxyphenyl)butyric acid (6555-30-2) → 3-(4-hydroxy-phenyl)-butyric acid (6739-21-5,22915-78-2)

Guidance literature:

With hydrogen bromide;

DOI:10.1135/cccc19760633

upstream raw materials:

3-(4-methoxyphenyl)butyric acid

3-chlorobutyric acid

phenol

[1-(4-methoxy-phenyl)-ethyl]-malonic acid diethyl ester

Downstream raw materials:

3-[4-(4-Isopropoxy-benzyloxy)-phenyl]-butyric acid

3-[4-(4-Chloro-benzyloxy)-phenyl]-butyric acid

3-(4-Benzyloxy-phenyl)-butyric acid

(S)-3-[4-(1-Phenyl-1H-tetrazol-5-yloxy)-phenyl]-butyric acid methyl ester

Refernces

• 1、 Kuchar,Rejholec,Brunova,et al.. "Benzyloxyarylaliphatic acids: Synethesis and quantitative relations between structure and antiinflammatory activity". . p. 2514 - 2524. Retrieved 2007/10/02.