5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-

Base Information

• Chemical Name: 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-
• CAS No.: 51234-85-6
• Molecular Formula: C15H10ClNO3
• Molecular Weight: 287.6978
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20199243
• Mol file: 51234-85-6.mol

Synonyms:51234-85-6;5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-;2-(4-Chlorophenyl)-5-benzoxazoleacetic acid;2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;BRN 1081206;C15H10ClNO3;2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aceticacid;|A-Desmethyl Benoxaprofen;SCHEMBL11626342;DTXSID20199243;MQBAVJCSIXDBPU-UHFFFAOYSA-N;MFCD01664073;AKOS015948515;LS-42078;2-p-chlorophenyl-5-benzoxazolylacetic acid;FT-0666083;2-(p-Chlorophenyl)-5-benzoxazolylacetic acid

Chemical Property of 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 7.29E-09mmHg at 25°C
• Melting Point: >242°C (dec.)
• Boiling Point: 449.4°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 63.33000
• Density: 1.408g/cm³
• LogP: 3.77530
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 287.0349209
• Heavy Atom Count: 20
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

α-DesmethylBenoxaprofen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CC(=O)O)Cl
• Uses: Benoxaprofen (B165300) derivative. A 5-benzoxazolealkanoic acid with antiinflammatory activity.

Technology Process of 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-

There total 5 articles about 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)- 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: 63.9%

4-chlorobenzimidic acid ethyl ester (827-72-5) + 4-hydroxy-3-amino-phenylacetic acid (38196-08-6) → dl-2-(p-chlorophenyl)-5-benzoxazolylacetic acid (51234-85-6)

Guidance literature:

With hydrogenchloride; In methanol; for 4h; Heating;

Reference yield:

p-chloro-benzimidoethyl ether hydrochloride + 4-hydroxy-3-amino-phenylacetic acid (38196-08-6) → dl-2-(p-chlorophenyl)-5-benzoxazolylacetic acid (51234-85-6)

Guidance literature:

In methanol;

Reference yield:

p-chlorobenzimidoethyl ether hydrochloride + 4-hydroxy-3-amino-phenylacetic acid (38196-08-6) → dl-2-(p-chlorophenyl)-5-benzoxazolylacetic acid (51234-85-6)

Guidance literature:

In methanol;

upstream raw materials:

4-chlorobenzimidic acid ethyl ester

4-hydroxy-3-amino-phenylacetic acid

4-hydroxy-3-nitrophenylacetic acid

Downstream raw materials:

(+/-)2-(4-chlorophenyl)-α-methyl-5-benzoxazoleacetic acid

Refernces

• 1、 -. "2-Phenyl-5-benzoxazolylalkanoic acid purification process". . . Retrieved 2008/06/13.
• 2、 -. "Benzoxazole derivatives in treating inflammation, pain and fever". . . Retrieved 2008/06/13.