(2,4-Dichlorophenyl)acetyl chloride

Base Information

• Chemical Name: (2,4-Dichlorophenyl)acetyl chloride
• CAS No.: 53056-20-5
• Molecular Formula: C8H5Cl3O
• Molecular Weight: 223.486
• Hs Code.: 2918990090
• European Community (EC) Number: 610-950-3
• Nikkaji Number: J2.181.483K
• Mol file: 53056-20-5.mol

Synonyms:53056-20-5;(2,4-Dichlorophenyl)acetyl chloride;2-(2,4-dichlorophenyl)acetyl chloride;(2,4-Dichloro-phenyl)acetyl chloride;2,4-dichlorophenylacetyl chloride;EC 610-950-3;Benzeneacetyl chloride, 2,4-dichloro-;SCHEMBL657437;RYXAJKPGHHNCSO-UHFFFAOYSA-N;MFCD01632173;(2,4-Dichlorophenyl)-acetyl chloride;2,4-dichlorophenylacetic acid chloride;AKOS015891084;2,4-Dichlorobenzeneacetic acid chloride;BS-32526;(2,4-DICHLORO-PHENYL)-ACETYLCHLORIDE

Chemical Property of (2,4-Dichlorophenyl)acetyl chloride

Chemical Property:

• Vapor Pressure: 0.00258mmHg at 25°C
• Refractive Index: 1.566
• Boiling Point: 286.8 °C at 760 mmHg
• Flash Point: 119.7 °C
• PSA: 26.30000
• Density: 1.445 g/cm³
• LogP: 3.13760
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 221.940598
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

(2,4-Dichlorophenoxy)acetyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CC(=O)Cl

Technology Process of (2,4-Dichlorophenyl)acetyl chloride

There total 7 articles about (2,4-Dichlorophenyl)acetyl 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: 98.0%

2,4-dichlorophenylacetic acid (19719-28-9) → 2,4-dichlorophenylacetyl chloride (53056-20-5)

Guidance literature:

With bis(trichloromethyl) carbonate; In 1,2-dichloro-ethane; at 30 - 40 ℃; for 1h; Reagent/catalyst;

Reference yield:

(2,4-dichlorophenyl)methanol (1777-82-8) → 2,4-dichlorophenylacetyl chloride (53056-20-5)

Guidance literature:

Multi-step reaction with 4 steps

1: PBr₃ / CH₂Cl₂

2: AcOH; H₂SO₄

3: thionyl chloride

With thionyl chloride; sulfuric acid; phosphorus tribromide; acetic acid; In dichloromethane;

DOI:10.3797/scipharm.aut-01-204

Reference yield:

para-dichlorobenzene (106-46-7,84348-21-0) + chloroacetyl chloride (79-04-9) → 2,4-dichlorophenylacetyl chloride (53056-20-5) + 2-(3,4-dichlorophenyl)acetyl chloride (6831-55-6)

Guidance literature:

With aluminium trichloride; water; Yield given. Multistep reaction. Yields of byproduct given; 1.) 170 deg C, 4 h, 2.) 90 deg C, 3 h;

upstream raw materials:

para-dichlorobenzene

chloroacetyl chloride

2,4-dichlorophenylacetic acid

2,4-Dichlorophenylacetonitrile

Downstream raw materials:

2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)ethanone

2-(2,4-dichlorophenyl)-2',4'-dichloroacetophenone

2-(2',4'-dichlorophenyl)-N-(3-chloro-4-methoxyphenethyl)acetamide

2-oxo-3-o-tolyl-1-oxaspiro[4.5]dec-3-en-4-yl 2-(2,4-dichlorophenyl)acetate

Refernces

• 1、 Jung, Hui Jin,Nam, Eun Hye,Park, Jin Young,Ghosh, Prithwish,Kim, In Su. "Identification of BR102910 as a selective fibroblast activation protein (FAP) inhibitor". supporting information. . Retrieved 2021/02/26.
• 2、 Blavier, Jeremy,Charles, Ma?lle,Hanson, Julien,Kronenberger, Thales,Laschet, Céline,Müller, Christa E.,Pillaiyar, Thanigaimalai,Rosato, Francesca,Wozniak, Monika. "Structure-activity relationships of agonists for the orphan G protein-coupled receptor GPR27". . . Retrieved 2021/08/27.