2-Acetylbenzoyl chloride

Base Information

• Chemical Name: 2-Acetylbenzoyl chloride
• CAS No.: 98588-64-8
• Molecular Formula: C9H7 Cl O2
• Molecular Weight: 182.606
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20512776
• Nikkaji Number: J456.472C
• Wikidata: Q82372167
• Mol file: 98588-64-8.mol

Synonyms:2-acetylbenzoyl chloride;98588-64-8;o-Acetyl-benzoylchlorid;SCHEMBL237838;DTXSID20512776;LFAHDEVKBSAKEX-UHFFFAOYSA-N;MFCD11617027;AKOS006318198;CC(=O)C1=CC=CC=C1C(Cl)=O

Chemical Property of 2-Acetylbenzoyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 2.26820
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.0134572
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

99%, ^*data from raw suppliers

BENZOYLCHLORIDE,2-ACETYL- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1C(=O)Cl

Technology Process of 2-Acetylbenzoyl chloride

There total 3 articles about 2-Acetylbenzoyl chloride 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:

2-(Hydroxymethyl)acetophenon (32521-21-4) → 2-acetyl-benzoyl chloride (98588-64-8)

Guidance literature:

With trichloroisocyanuric acid; In dichloromethane; at 20 ℃; for 120h; Inert atmosphere;

DOI:10.1002/adsc.201500912

Reference yield:

2-acetyl-benzoic acid (577-56-0) → 2-acetyl-benzoyl chloride (98588-64-8)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1039/P29900001809

Reference yield:

→ 2-acetyl-benzoyl chloride (98588-64-8)

Guidance literature:

entspr. Saeure, SOCl2, 20grad;

upstream raw materials:

2-acetyl-benzoic acid

2-(Hydroxymethyl)acetophenon

Downstream raw materials:

3-Methyl-3-m-tolyloxy-3H-isobenzofuran-1-one

1-(2-dimethylaminomethylphenyl)ethanol

(R)-1-(2-Hydroxymethyl-phenyl)-ethanol

(S)-1-(2-Hydroxymethyl-phenyl)-ethanol