3-BENZOYL-2-BENZOXAZOLINONE

Base Information

• Chemical Name: 3-BENZOYL-2-BENZOXAZOLINONE
• CAS No.: 13787-59-2
• Molecular Formula: C14H9 N O3
• Molecular Weight: 239.23
• Hs Code.: 2934999090
• Mol file: 13787-59-2.mol

Synonyms:2-Benzoxazolinone,3-benzoyl- (8CI); 3-Benzoyl-2-benzoxazolinone; N-Benzoyl-2-benzoxazolone

Chemical Property of 3-BENZOYL-2-BENZOXAZOLINONE

Chemical Property:

• Vapor Pressure: 3.31E-06mmHg at 25°C
• Melting Point: 172-174°C
• Refractive Index: 1.658
• Boiling Point: 387.4°C at 760 mmHg
• Flash Point: 188.1°C
• PSA: 52.21000
• Density: 1.373g/cm³
• LogP: 2.28300

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-BENZOYL-2-BENZOXAZOLINONE

There total 14 articles about 3-BENZOYL-2-BENZOXAZOLINONE 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%

2-Benzoxazolinone (59-49-4) + benzoyl chloride (98-88-4) → 3-benzoyl-2(3H)-benzoxazolone (13787-59-2)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; for 3h; Reflux;

DOI:10.2174/1573406413666161205121652

Reference yield: 90.0%

aniline (62-53-3) + benzoic acid (65-85-0,8013-63-6) + 3,3'-(phenylphosphinylidene)bis<2(3H)-benzoxazolone> → N-phenyl benzoyl amide (93-98-1,5705-51-1) + 3-benzoyl-2(3H)-benzoxazolone (13787-59-2) + (2-Oxo-benzooxazol-3-yl)-phenyl-phosphinic acid

Guidance literature:

With 1-methyl-pyrrolidin-2-one; triethylamine; for 8h; Product distribution; Ambient temperature; other time, other ratio of reactants;

DOI:10.1246/bcsj.58.3291

Reference yield: 90.0%

2-Benzoxazolinone (59-49-4) + benzoic acid anhydride (93-97-0) → 3-benzoyl-2(3H)-benzoxazolone (13787-59-2)

Guidance literature:

for 3h; Heating;

upstream raw materials:

2-Benzoxazolinone

benzoyl chloride

3-benzoyl-2(3H)-benzoxazolethione

benzoic acid anhydride

Downstream raw materials:

3-thiobenzoyl-3H-benzooxazol-2-one

6-benzoyl-2(3H)-benzoxazolone

4-benzoyl-3H-benzooxazol-2-one

2-Benzoxazolinone

Refernces

• 1、 Sureshbabu, Popuri,Azeez, Sadaf,Muniyappan, Nalluchamy,Sabiah, Shahulhameed,Kandasamy, Jeyakumar. "Chemoselective Synthesis of Aryl Ketones from Amides and Grignard Reagents via C(O)-N Bond Cleavage under Catalyst-Free Conditions". . p. 11823 - 11838. Retrieved 2019/10/02.
• 2、 Zou, Yi,Wang, Yan,Wang, Fang,Luo, Minghao,Li, Yuezhen,Liu, Wen,Huang, Zhangjian,Zhang, Yihua,Guo, Wenjie,Xu, Qiang,Lai, Yisheng. "Discovery of potent IDO1 inhibitors derived from tryptophan using scaffold-hopping and structure-based design approaches". . p. 199 - 211. Retrieved 2017/07/03.