O-Acetyl benzohydroxamate

Base Information

• Chemical Name: O-Acetyl benzohydroxamate
• CAS No.: 21251-12-7
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID00175505
• Nikkaji Number: J86.754C
• Wikidata: Q83045867
• Mol file: 21251-12-7.mol

Synonyms:O-Acetyl benzohydroxamate;benzamido acetate;N-Acetoxybenzamide;21251-12-7;Hydroxylamine, O-acetyl-N-benzoyl-;O-Acetylbenzohydroxamic acid;SCHEMBL2310273;SCHEMBL22354839;DTXSID00175505;LS-77355

Chemical Property of O-Acetyl benzohydroxamate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 58.89000
• Density: 1.196g/cm³
• LogP: 1.46930
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)ONC(=O)C1=CC=CC=C1

Technology Process of O-Acetyl benzohydroxamate

There total 24 articles about O-Acetyl benzohydroxamate 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: 96.0%

Benzohydroxamic acid (495-18-1) + acetic anhydride (108-24-7) → N-benzoyl-O-acetylhydroxylamine (21251-12-7)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 20 ℃; for 3h;

DOI:10.1021/ja201143v

Reference yield: 91.0%

potassium benzohydroxamate (32685-16-8) + acetyl chloride (75-36-5) → N-benzoyl-O-acetylhydroxylamine (21251-12-7)

Guidance literature:

potassium benzohydroxamate; With Amberlite IRA-400 (Cl^(1-) form); In water;

acetyl chloride; In acetonitrile; at 20 ℃; for 0.116667h;

DOI:10.1081/SCC-120020206

Reference yield: 78.0%

[bis(acetoxy)iodo]benzene (3240-34-4) + Benzaldoxime (932-90-1) → N-benzoyl-O-acetylhydroxylamine (21251-12-7)

Guidance literature:

In acetonitrile; at 20 - 60 ℃; for 2.16667h;

DOI:10.1039/b917096k

upstream raw materials:

Ketene

aci-nitromethyl-benzene

Benzohydroxamic acid

acetic anhydride

Downstream raw materials:

N-(p-methoxyphenyl)benzamide

1-(4-methoxyphenyl)ethanone

trans-N-styryl-benzamide

N-(4-phenoxyphenyl)benzamide

Refernces

• 1、 Zhang, Xinyu,Lin, Bo,Chen, Jianhui,Chen, Jiajia,Luo, Yanshu,Xia, Yuanzhi. "Synthesis of sulfimides and N-Allyl-N-(thio)amides by Ru(II)catalyzed nitrene transfer reactions of N-acyloxyamides". supporting information. p. 819 - 825. Retrieved 2021/02/01.
• 2、 Maimon, Eric,Lerner, Ana,Samuni, Amram,Goldstein, Sara. "Direct Observation of Acyl Nitroso Compounds in Aqueous Solution and the Kinetics of Their Reactions with Amines, Thiols, and Hydroxamic Acids". . p. 7006 - 7013. Retrieved 2018/09/06.