1-(4-Chlorophenyl)-3-methylbut-2-en-1-one

Base Information

Chemical Name:1-(4-Chlorophenyl)-3-methylbut-2-en-1-one
CAS No.:14618-90-7
Molecular Formula:C11H11ClO
Molecular Weight:194.661
Hs Code.:
DSSTox Substance ID:DTXSID90569398
Nikkaji Number:J2.534.360C
Mol file:14618-90-7.mol

Synonyms:1-(4-Chlorophenyl)-3-methylbut-2-en-1-one;14618-90-7;DTXSID90569398;AKOS017741937

Suppliers and Price of 1-(4-Chlorophenyl)-3-methylbut-2-en-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 1-(4-Chlorophenyl)-3-methylbut-2-en-1-one

Chemical Property:

PSA：17.07000
LogP:3.48890
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:194.0498427
Heavy Atom Count:13
Complexity:208

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)-3-methylbut-2-en-1-one

There total 4 articles about 1-(4-Chlorophenyl)-3-methylbut-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: 75.0%

: 95465-56-8
3-methyl-1-(4-chlorophenyl)-2-butenol

: 14618-90-7
1-(4-chlorophenyl)-3-methyl-2-buten-1-one

Guidance literature:: With manganese(IV) oxide; In dichloromethane; at 20 ℃;
DOI:10.1021/ol702357n

Reference yield:

: 541-47-9
3-Methylbutenoic acid

: 14618-90-7
1-(4-chlorophenyl)-3-methyl-2-buten-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / SOCl₂ / 1.) reflux, 1.3 h, 2.) room temperature, 2.5 h, 3.) reflux, 1 h

2: 1.) CdCl₂ / 1.) Et₂O, reflux, 1 h, 2.) benzene, reflux, 1 h

With thionyl chloride; cadmium(II) chloride;
DOI:10.1021/ja00391a026

Reference yield:

: 3350-78-5
3,3-Dimethylacryloyl chloride

: 873-77-8
(4-chlorphenyl)magnesium bromide

: 14618-90-7
1-(4-chlorophenyl)-3-methyl-2-buten-1-one

Guidance literature:: With cadmium(II) chloride; Yield given. Multistep reaction; 1.) Et₂O, reflux, 1 h, 2.) benzene, reflux, 1 h;
DOI:10.1021/ja00391a026