1-(2-Chlorophenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(2-Chlorophenyl)prop-2-en-1-one
• CAS No.: 89638-23-3
• Molecular Formula: C9H7ClO
• Molecular Weight: 166.607
• DSSTox Substance ID: DTXSID60592916
• Wikidata: Q82487279
• Mol file: 89638-23-3.mol

Synonyms:1-(2-Chlorophenyl)prop-2-en-1-one;89638-23-3;SCHEMBL7006496;DTXSID60592916;AKOS014912213;CS-0459325;EN300-1248915

Chemical Property of 1-(2-Chlorophenyl)prop-2-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.70870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.0185425
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Chlorophenyl)prop-2-en-1-one

There total 6 articles about 1-(2-Chlorophenyl)prop-2-en-1-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: 82.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 1-(2-chlorophenyl)ethanone (2142-68-9) → 1-(2-chlorophenyl)-2-propen-1-one (89638-23-3)

Guidance literature:

With dipotassium peroxodisulfate; iron(III) chloride hexahydrate; at 110 ℃; for 4h; Sealed tube;

DOI:10.1002/ejoc.201500189

Reference yield: 79.0%

1-(2-chlorophenyl)-2-(phenylsulfonyl)ethanone (344266-59-7) + diiodomethane (75-11-6) → 1-(2-chlorophenyl)-2-propen-1-one (89638-23-3)

Guidance literature:

diiodomethane; With diethylzinc; In hexane; dichloromethane; at 0 - 25 ℃; for 0.5h; Inert atmosphere;

1-(2-chlorophenyl)-2-(phenylsulfonyl)ethanone; In hexane; dichloromethane; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02455

Reference yield: 77.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(2-chlorophenyl)ethanone (2142-68-9) → 1-(2-chlorophenyl)-2-propen-1-one (89638-23-3)

Guidance literature:

With trifluoroacetic acid; diisopropylamine 2,2,2-trifluoroacetic acid salt; In tetrahydrofuran; for 2h; Reflux;

DOI:10.1016/j.tetlet.2014.10.019

upstream raw materials:

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

formaldehyd

1-(2-chlorophenyl)ethanone

α-vinyl-o-chlorobenzyl alcohol