4-Chloro-alpha-oxo-benzeneacetyl chloride

Base Information

• Chemical Name: 4-Chloro-alpha-oxo-benzeneacetyl chloride
• CAS No.: 104132-79-8
• Molecular Formula: C8H4Cl2O2
• Molecular Weight: 203.025
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90452579
• Mol file: 104132-79-8.mol

Synonyms:104132-79-8;2-(4-chlorophenyl)-2-oxoacetyl chloride;Benzeneacetyl chloride, 4-chloro-alpha-oxo- (9CI);(4-Chlorophenyl)(oxo)acetyl chloride;4-CHLORO-ALPHA-OXO-BENZENEACETYL CHLORIDE;SCHEMBL5917993;DTXSID90452579

Chemical Property of 4-Chloro-alpha-oxo-benzeneacetyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 2.28810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.9588348
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-alpha-oxo-benzeneacetyl chloride

There total 7 articles about 4-Chloro-alpha-oxo-benzeneacetyl 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:

ethyl 2-(4-chlorophenyl)-2-oxoacetate (34966-48-8) → 2-(4-chlorophenyl)-2-oxoacetyl chloride (104132-79-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / 2 h / 20 °C

2: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Inert atmosphere

With oxalyl dichloride; water; N,N-dimethyl-formamide; sodium hydroxide; In dichloromethane;

DOI:10.1021/ol403480v

Reference yield:

4-chlorophenylglyoxylic acid (7099-88-9) → 2-(4-chlorophenyl)-2-oxoacetyl chloride (104132-79-8)

Guidance literature:

With thionyl chloride; In benzene; for 3h; Heating;

DOI:10.1002/ardp.19883210516

Reference yield:

Ethyl oxalyl chloride (4755-77-5) + chlorobenzene (108-90-7) → 2-(4-chlorophenyl)-2-oxoacetyl chloride (104132-79-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 8h;

DOI:10.1021/acs.orglett.6b00748

upstream raw materials:

4-chlorophenylglyoxylic acid

methyl (p-chlorphenyl)glyoxylate

methyl 4-chloromandelate

ethyl 2-(4-chlorophenyl)-2-oxoacetate

Downstream raw materials:

N-(4-Chlorphenylglyoxyloyl)-1-pyrrolidincarboximidoylchlorid

N-(4-Chlorphenylglyoxyloyl)(diisopropylamino)formimidoylchlorid

4-Chlor-N-methyl-phenylglyoxylohydroxamsaeure

4-Chlor-N-cyclopropylethyl-phenylglyoxylhydroxamsaeure