4-(1,3-Benzoxazol-2-yl)benzoic acid

Base Information

• Chemical Name: 4-(1,3-Benzoxazol-2-yl)benzoic acid
• CAS No.: 20000-54-8
• Molecular Formula: C14H9NO3
• Molecular Weight: 239.23
• DSSTox Substance ID: DTXSID40432548
• Nikkaji Number: J2.663.904B
• Wikidata: Q82246617
• Mol file: 20000-54-8.mol

Synonyms:20000-54-8;4-(1,3-benzoxazol-2-yl)benzoic acid;4-(benzo[d]oxazol-2-yl)benzoic acid;4-benzooxazol-2-ylbenzoic Acid;Benzoic acid, 4-(2-benzoxazolyl)-;4-(BENZOXAZOL-2-YL)BENZOIC ACID;SCHEMBL977466;2-(4-Carboxyphenyl)benzoxazole;4-Benzoxazol-2-yl-benzoic acid;4-Benzooxazol-2-yl-benzoic acid;DTXSID40432548;4-(Benzoxazole-2-yl)benzoic acid;BBL018940;STK729506;AKOS000104763;VS-06830;BB 0244252;AP-970/40096125;A1-25060

Chemical Property of 4-(1,3-Benzoxazol-2-yl)benzoic acid

Chemical Property:

• PSA: 63.33000
• LogP: 3.19300
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.058243149
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

99%min ^*data from raw suppliers

4-(1,3-BENZOXAZOL-2-YL)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C(=O)O

Technology Process of 4-(1,3-Benzoxazol-2-yl)benzoic acid

There total 10 articles about 4-(1,3-Benzoxazol-2-yl)benzoic 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: 86.0%

2-(4-methoxycarbonylphenyl)-1,3-benzoxazole (20000-53-7) → 4-(1,3-benzoxazol-2-yl)benzoic acid (20000-54-8)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 18h;

Reference yield: 80.0%

terephthalic acid (100-21-0) + 2-amino-phenol (95-55-6) → 4-(1,3-benzoxazol-2-yl)benzoic acid (20000-54-8)

Guidance literature:

terephthalic acid; With thionyl chloride; at 80 ℃; for 2h;

2-amino-phenol; With methanesulfonic acid; In 1,4-dioxane; for 3h; Reflux;

DOI:10.1071/CH08193

Reference yield:

benzoxazole (273-53-0,29791-96-6) + 4-carboxyphenylboronic acid (14047-29-1) → 4-(1,3-benzoxazol-2-yl)benzoic acid (20000-54-8)

Guidance literature:

With [2,2]bipyridinyl; potassium phosphate; [(nickel(II))₂(1,4 dicarboxybenzene)₂(1,4-diaza-bicyclo[2.2.2]octane)]; In N,N-dimethyl acetamide; at 100 ℃; for 3h;

DOI:10.1039/c3cy00503h

upstream raw materials:

2-(4-methoxycarbonylphenyl)-1,3-benzoxazole

4-Methoxycarbonylbenzoyl chloride

2-amino-phenol

terephthalic acid

Downstream raw materials:

4-(1,3-benzoxazol-2-yl)-N-[(1R,3S)-3-(ethylcarbamoyl)cyclopentyl]-N-methyl-benzamide

4-Benzooxazol-2-yl-N-(2-sulfamoylphenyl)sulfonyl-benzamide

4-benzooxazol-2-yl-benzaldehyde

4-benzooxazol-2-yl-benzoyl chloride

Refernces

• 1、 -. "NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN". Page/Page column 243. . Retrieved 2014/10/18.
• 2、 Fourati, M. Amine,Skene,Bazuin, C. Géraldine,Prud'Homme, Robert E.. "Photophysical and electrochemical investigations of the fluorescent probe, 4,4′-Bis(2-benzoxazolyl)stilbene". . p. 836 - 844. Retrieved 2013/04/23.