4-Chlorobenzeneacetyl chloride

Base Information

• Chemical Name: 4-Chlorobenzeneacetyl chloride
• CAS No.: 25026-34-0
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 29163990
• European Community (EC) Number: 246-571-1
• DSSTox Substance ID: DTXSID10179736
• Nikkaji Number: J236.033K
• Wikidata: Q72517095
• Mol file: 25026-34-0.mol

Synonyms:p-Chlorophenylacetyl Chloride;

Chemical Property of 4-Chlorobenzeneacetyl chloride

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.017mmHg at 25°C
• Refractive Index: n20/D 1.5510(lit.)
• Boiling Point: 254.7 °C at 760 mmHg
• Flash Point: 103 °C
• PSA: 17.07000
• Density: 1.324 g/cm³
• LogP: 2.64790
• Sensitive.: Moisture Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chlorophenylacetyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-43
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)Cl)Cl

Technology Process of 4-Chlorobenzeneacetyl chloride

There total 10 articles about 4-Chlorobenzeneacetyl 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: 100.0%

4-chlorophenylacetic Acid (1878-66-6) → 4-chlorophenacetyl chloride (25026-34-0)

Guidance literature:

With thionyl chloride; In dichloromethane;

DOI:10.1016/j.bmcl.2007.09.036

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) + oxalyl dichloride (79-37-8) → 4-chlorophenacetyl chloride (25026-34-0)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

Reference yield:

1-(4-chlorophenyl)-2-diazoethanone (3282-33-5) → 4-chlorophenacetyl chloride (25026-34-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. Ag₂O / dioxane

2: (COCl)2; DMF / CH₂Cl₂

With oxalyl dichloride; N,N-dimethyl-formamide; silver(l) oxide; In 1,4-dioxane; dichloromethane; 1: Rearrangement / 2: Chlorination;

DOI:10.1016/S0960-894X(00)00318-8

upstream raw materials:

4-chlorophenylacetic Acid

4-chlorobenzyl bromide

para-Chlorobenzyl alcohol

p-chlorobenzyl cyanide

Downstream raw materials:

1,2-bis(4-chlorophenyl)ethanone

2-(4-Chlorophenyl)-1-(4-methylphenyl)ethan-1-one

1-(4-chlorophenyl)-3-diazo-propan-2-one

3-[(4-chloro-phenyl)-acetyl]-[1,3]oxazinane

Refernces

• 1、 Halder, Amit K.,Mallick, Sumana,Shikha, Deep,Saha, Achintya,Saha, Krishna D.,Jha, Tarun. "Design of dual MMP-2/HDAC-8 inhibitors by pharmacophore mapping, molecular docking, synthesis and biological activity". . p. 72373 - 72386. Retrieved 2015.
• 2、 Furuyama, Taniyuki,Tamura, Daichi,Maeda, Hajime,Segi, Masahito. "Synthesis and peripheral substituent effects of bay-annulated indigo derivatives". . p. 2913 - 2916. Retrieved 2018.
• 3、 Wang, Yan,Wang, Xiao,Chen, Xin,Liu, Xiujie. "Synthesis and in vitro anti-platelet aggregation activities of 2-methoxy-5-arylamido-N-(pyridin-3-yl-methyl)benzamides". . . Retrieved 2018/12/11.
• 4、 Zhang, Xin,Liu, Qiang,Zhang, Na,Li, Qian–Qian,Liu, Zhan–Dong,Li, Ying–Hong,Gao, Li–Mei,Wang, You–Chun,Deng, Hong–Bin,Song, Dan–Qing. "Discovery and evolution of aloperine derivatives as novel anti-filovirus agents through targeting entry stage". . p. 45 - 55. Retrieved 2018/03/21.