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

Base Information

• Chemical Name: 2,2-Dichloro-1-(4-methoxyphenyl)-ethanone
• CAS No.: 29003-60-9
• Molecular Formula: C9H8 Cl2 O2
• Molecular Weight: 219.067
• Hs Code.: 2914700090
• ChEMBL ID: CHEMBL4281131
• DSSTox Substance ID: DTXSID30507739
• Nikkaji Number: J502.672E
• Wikidata: Q82364125
• Mol file: 29003-60-9.mol

Synonyms:29003-60-9;2,2-dichloro-1-(4-methoxyphenyl)ethanone;2,2-dichloro-1-(4-methoxyphenyl)-ethanone;Ethanone, 2,2-dichloro-1-(4-methoxyphenyl)- (9CI);SCHEMBL8383986;CHEMBL4281131;DTXSID30507739;YXWSUMDQCTYAOF-UHFFFAOYSA-N;p-methoxy-2,2-dichloroacetophenone;MFCD13173424;2, 2-dichloro-1-(4-methoxyphenyl)ethanone;NS00132809;2,2-Dichloro-1-(4-methoxyphenyl)ethan-1-one

Chemical Property of 2,2-Dichloro-1-(4-methoxyphenyl)-ethanone

Chemical Property:

• Melting Point: 77–78°C
• PSA: 26.30000
• LogP: 2.68160
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(Cl)Cl

Technology Process of 2,2-Dichloro-1-(4-methoxyphenyl)-ethanone

There total 21 articles about 2,2-Dichloro-1-(4-methoxyphenyl)-ethanone 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-Benzenesulfinyl-2,2-dichloro-1-(4-methoxy-phenyl)-ethanol (86002-03-1) → 2,2-dichloro-4'-methoxyacetophenone (29003-60-9)

Guidance literature:

In neat (no solvent); at 150 ℃; for 0.0833333h; under 1 Torr;

DOI:10.1016/S0040-4039(00)81455-0

Reference yield: 88.8%

1-methoxy-4-(2-nitro-vinyl)-benzene (3179-10-0) → 2,2-dichloro-4'-methoxyacetophenone (29003-60-9)

Guidance literature:

1-methoxy-4-(2-nitro-vinyl)-benzene; With N-chloro-succinimide; sodium hydride; In methanol; at 55 ℃; for 5h;

With hydrogenchloride; water; In methanol; at 20 ℃; for 5h;

Reference yield: 87.0%

2,2,2-trichloro-1-(4-methoxyphenyl)ethan-1-one (36458-91-0) → 2,2-dichloro-4'-methoxyacetophenone (29003-60-9)

Guidance literature:

With methanol; triphenylphosphine; In dichloromethane; at 0 ℃; for 0.166667h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.6b02044

upstream raw materials:

dichloroacethyl chloride

methoxybenzene

2-Benzenesulfinyl-2,2-dichloro-1-(4-methoxy-phenyl)-ethanol

acetic acid

Downstream raw materials:

p-methoxybenzoylformic acid

α-(dichloromethyl)-4-methoxybenzenemethanol

2,2,2-trichloro-1-(4-methoxyphenyl)ethan-1-one

4-methoxybenzoic acid