Acetyl chloride, (benzoylamino)-

Base Information

• Chemical Name: Acetyl chloride, (benzoylamino)-
• CAS No.: 53587-10-3
• Molecular Formula: C9H8ClNO2
• Molecular Weight: 197.621
• DSSTox Substance ID: DTXSID80463336
• Nikkaji Number: J1.630.093D
• Wikidata: Q82288194
• Mol file: 53587-10-3.mol

Synonyms:Acetyl chloride, (benzoylamino)-;2-benzamidoacetyl Chloride;53587-10-3;2-(phenylformamido)acetyl chloride;Hippurylchlorid;Hippuryl Chloride;SCHEMBL5485619;DTXSID80463336;LSKOJLKNJUNBAC-UHFFFAOYSA-N;MFCD00269714;AKOS006275521

Chemical Property of Acetyl chloride, (benzoylamino)-

Chemical Property:

• PSA: 49.66000
• LogP: 1.75660
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

2-(Phenylformamido)acetylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)Cl

Technology Process of Acetyl chloride, (benzoylamino)-

There total 4 articles about Acetyl chloride, (benzoylamino)- 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: 75.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) → hippuryl chloride (53587-10-3)

Guidance literature:

With phosphorus pentachloride; acetyl chloride; for 0.5h;

Reference yield:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + acetyl chloride (75-36-5) → hippuryl chloride (53587-10-3)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + phosphorus pentachloride (10026-13-8,874483-75-7) + acetyl chloride (75-36-5) → hippuryl chloride (53587-10-3)

Guidance literature:

upstream raw materials:

Hippuric Acid

acetyl chloride

phosphorus pentachloride

Downstream raw materials:

hippuric acid isopentylamide

hippuroyloxy-acetic acid

Bz-Gly-ONPh

N-(2-(3,4-dimethoxyphenyl)-2-oxoethyl)benzamide