3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-

Base Information

• Chemical Name: 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-
• CAS No.: 76751-96-7
• Molecular Formula: C₁₆H₁₁NO₅
• Molecular Weight: 297.267
• DSSTox Substance ID: DTXSID40227572
• Wikidata: Q83107373
• Mol file: 76751-96-7.mol

Synonyms:BRN 5599578;3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-;6-Benzoyl-2-oxo-3(2H)-benzoxazoleacetic acid;76751-96-7;DTXSID40227572;LS-42073

Chemical Property of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-

Chemical Property:

• Vapor Pressure: 1.68E-12mmHg at 25°C
• Boiling Point: 540.2°Cat760mmHg
• Flash Point: 280.5°C
• Density: 1.432g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 297.06372245
• Heavy Atom Count: 22
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)O

Technology Process of 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo-

There total 1 articles about 3(2H)-Benzoxazoleacetic acid, 6-benzoyl-2-oxo- 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:

6-benzoyl-2(3H)-benzoxazolone (54903-12-7) + chloroacetic acid (79-11-8) → (6-benzoyl-2-benzoxazolinon-3-yl)acetic acid (76751-96-7)

Guidance literature:

With hydrogenchloride; ethanol; sodium; multistep reaction; other ω-chloro acid;

upstream raw materials:

6-benzoyl-2(3H)-benzoxazolone

chloroacetic acid