1-Chloro-3-(3-chlorophenyl)propan-2-one

Base Information

• Chemical Name: 1-Chloro-3-(3-chlorophenyl)propan-2-one
• CAS No.: 24253-17-6
• Molecular Formula: C9H8Cl2O
• Molecular Weight: 203.068
• European Community (EC) Number: 895-776-8
• DSSTox Substance ID: DTXSID601280932
• Mol file: 24253-17-6.mol

Synonyms:1-chloro-3-(3-chlorophenyl)propan-2-one;24253-17-6;SCHEMBL3022221;DTXSID601280932;MFCD09945722;AKOS000190656;1-Chloro-3-(3-chlorophenyl)-2-propanone;G53031;EN300-5293395;Z316174772

Chemical Property of 1-Chloro-3-(3-chlorophenyl)propan-2-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-3-(3-chlorophenyl)propan-2-one

There total 4 articles about 1-Chloro-3-(3-chlorophenyl)propan-2-one 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: 46.0%

chloroacetyl chloride (79-04-9) + (3-chlorobenzyl)zinc(II) chloride (312624-13-8) → 1-chloro-3-(3'-chlorophenyl)-2-propanone (24253-17-6)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 1h;

Reference yield:

3-chlorophenylacetic acid (1878-65-5) → 1-chloro-3-(3'-chlorophenyl)-2-propanone (24253-17-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / SOCl₂ / benzene / 2 h / Heating

2: 2) HCl / ether, 1) RT, 4 h, 2) 0 deg C, 5 - 10 min

With hydrogenchloride; thionyl chloride; In benzene;

DOI:10.1021/jo00290a006

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-chloro-benzeneacetyl chloride (41904-39-6) → 1-chloro-3-(3'-chlorophenyl)-2-propanone (24253-17-6)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction; ether, 1) RT, 4 h, 2) 0 deg C, 5 - 10 min;

DOI:10.1021/jo00290a006

upstream raw materials:

diazomethane

3-chloro-benzeneacetyl chloride

chloroacetyl chloride

(3-chlorobenzyl)zinc(II) chloride

Downstream raw materials:

cis-(+/-)-1-(3-chlorophenyl)-3-(4'a-ethylhexahydrospiro<1,3-dioxolane-2,7'-<7H-1>pyrindin>-1'(2'H)-yl)-2-propanone

3-(3-chlorophenyl)-2-oxopropyl acetate

cis-(+/-)-1-(3-chlorophenyl)-7a-ethyl-6,7,7a,8,9,9b-hexahydro-3H-cyclopentaquinolizin-2(5H)-one