1-Chloro-3-methyl-3-phenylbutan-2-one

Base Information

Chemical Name:1-Chloro-3-methyl-3-phenylbutan-2-one
CAS No.:64922-05-0
Molecular Formula:C₁₁H₁₃ClO
Molecular Weight:196.677
Hs Code.:
DSSTox Substance ID:DTXSID701278714

Synonyms:1-chloro-3-methyl-3-phenylbutan-2-one;64922-05-0;2-Butanone, 1-chloro-3-methyl-3-phenyl-;SCHEMBL4447460;DTXSID701278714;AKOS017532100;EN300-321359;Z1262489088

Suppliers and Price of 1-Chloro-3-methyl-3-phenylbutan-2-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-Chloro-3-methyl-3-phenylbutan-2-one

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:196.0654927
Heavy Atom Count:13
Complexity:181

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 1-Chloro-3-methyl-3-phenylbutan-2-one

There total 1 articles about 1-Chloro-3-methyl-3-phenylbutan-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: 94.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 826-55-1
2-methyl-2-phenylpropionic acid

: 64922-05-0
1-chloro-3-methyl-3-phenylbutan-2-one

Guidance literature:: 2-methyl-2-phenylpropionic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃;

diazomethane; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 12h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; at 0 ℃; for 0.0833333h;

Reference yield: 74.0%

: 64922-05-0
1-chloro-3-methyl-3-phenylbutan-2-one

: 64-19-7,77671-22-8
acetic acid

: 1067187-58-9
3-methyl-2-oxo-3-phenylbutyl acetate

Guidance literature:: With triethylamine; In acetone; at 150 ℃; for 0.5h; Microwave irradiation;
DOI:10.1021/jm9013696

Reference yield:

: 64922-05-0
1-chloro-3-methyl-3-phenylbutan-2-one

: 1067187-34-1
3-hydroxy-2-(2-phenylpropan-2-yl)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / acetone / 0.5 h / 150 °C / sealed vial; microwave irradiation

2.1: sodium hydroxide; water / ethanol / 0.5 h / Heating / reflux

2.2: 12.33 h / Heating / reflux

2.3: 20 °C

With sodium hydroxide; water; triethylamine; In ethanol; acetone;