4-(4-Hydroxyphenyl)butanoic acid

Base Information

• Chemical Name: 4-(4-Hydroxyphenyl)butanoic acid
• CAS No.: 7021-11-6
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• NSC Number: 131303
• DSSTox Substance ID: DTXSID20299550
• Nikkaji Number: J579.377G
• Wikidata: Q72480989
• ChEMBL ID: CHEMBL4097450
• Mol file: 7021-11-6.mol

Synonyms:4-(4-HYDROXYPHENYL)BUTANOIC ACID;7021-11-6;4-(4-HYDROXYPHENYL)BUTYRIC ACID;benzenebutanoic acid, 4-hydroxy-;4-(4-Hydroxy-phenyl)-butyric acid;4-Hydroxy-benzenebutanoic acid;MFCD00033287;4-(4-Hydroxyphenyl)butanoicacid;NSC131303;4-carboxypropylphenol;4-Hydroxybenzenebutanoic acid;SCHEMBL284671;4-hydroxyphenethyl acetic acid;4-(Hydroxy)benzenebutanoic acid;CHEMBL4097450;DTXSID20299550;LR-82;AKOS006344522;CCG-301693;CS-W019452;NSC 131303;NSC-131303;SB38388;SY031852;TS-00199;FT-0602060;A19084;EN300-102750;Z1201617656

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

Chemical Property:

• Vapor Pressure: 6.03E-06mmHg at 25°C
• Boiling Point: 364.3 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 188.3 °C
• PSA: 57.53000
• Density: 1.214 g/cm³
• LogP: 1.79950
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99.3% ^*data from raw suppliers

4-Carboxypropylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)O
• Uses: 4-Carboxypropylphenol is a bacterial chlorophyll derivative.

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

There total 7 articles about 4-(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: 98.0%

4-(4-Methoxyphenyl)butyric acid (4521-28-2) → 4-(4-hydroxyphenyl)butanoic acid (7021-11-6)

Guidance literature:

With boron tribromide; In dichloromethane;

DOI:10.1016/S0960-894X(00)00707-1

Reference yield: 87.0%

4-(4-methoxy-phenyl)-4-oxo-butyric acid (3153-44-4) → 4-(4-hydroxyphenyl)butanoic acid (7021-11-6)

Guidance literature:

4-(4-methoxy-phenyl)-4-oxo-butyric acid; With potassium hydroxide; hydrazine hydrate; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; for 1.5h; Heating;

In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 220 ℃; for 4h;

Reference yield:

methyl 4-(4-hydroxyphenyl)butanoate (22320-10-1) → 4-(4-hydroxyphenyl)butanoic acid (7021-11-6)

Guidance literature:

With hydrogen bromide; In acetic acid; Heating;

DOI:10.1021/jm00369a017

upstream raw materials:

3-(4-hydroxybenzoyl)propionic acid

4-(4-Methoxyphenyl)butyric acid

methyl 4-(4-hydroxyphenyl)butanoate

4-(4-methoxy-phenyl)-4-oxo-butyric acid

Downstream raw materials:

4-(4-acetoxyphenyl)butyric acid

4-(4-hydroxyphenyl)butyric acid tert-butyldimethylsilyl ester

4-(cis-4-hydroxy-cyclohexyl)-butyric acid

4-(4-{2-[5-benzyloxy-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol

Refernces

• 1、 Matsuura, Rei,Jankins, Tanner C.,Hill, David E.,Yang, Kin S.,Gallego, Gary M.,Yang, Shouliang,He, Mingying,Wang, Fen,Marsters, Rohan P.,McAlpine, Indrawan,Engle, Keary M.. "Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids". . p. 8363 - 8368. Retrieved 2018/11/24.
• 2、 Morin, Matthew D.,Wang, Ying,Jones, Brian T.,Su, Lijing,Surakattula, Murali M. R. P.,Berger, Michael,Huang, Hua,Beutler, Elliot K.,Zhang, Hong,Beutler, Bruce,Boger, Dale L.. "Discovery and Structure-Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists". supporting information. p. 4812 - 4830. Retrieved 2016/06/13.