1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

Base Information

Chemical Name:1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one
CAS No.:39489-86-6
Molecular Formula:C12H15 Cl O
Molecular Weight:210.704
Hs Code.:2914700090
DSSTox Substance ID:DTXSID50435661
Nikkaji Number:J1.891.874I
Wikidata:Q72456772
Mol file:39489-86-6.mol

Synonyms:39489-86-6;1-(4-CHLOROPHENYL)-3,3-DIMETHYLBUTAN-2-ONE;1-(4-CHLORO-PHENYL)-3,3-DIMETHYL-BUTAN-2-ONE;1-(4-chlorophenyl)-3,3-dimethyl-2-butanone;1-(4-chlorophenyl)-3,3-dimethyl-butan-2-one;SCHEMBL1477511;DTXSID50435661;OGJSXKLSNLMPCL-UHFFFAOYSA-N;AKOS010014297;FT-0752359;1-(4-chlorophenyl)-3,3-dimethyl butan-2-one;N14155;A824569

Suppliers and Price of 1-(4-Chlorophenyl)-3,3-dimethylbutan-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

Crysdot
1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one 95+%
5g
$ 628.00

American Custom Chemicals Corporation
1-(4-CHLORO-PHENYL)-3,3-DIMETHYL-BUTAN-2-ONE 95.00%
5MG
$ 500.81

Alichem
1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one
1g
$ 400.00

Total 9 raw suppliers

Chemical Property of 1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

Chemical Property:

Vapor Pressure:0.005mmHg at 25°C
Refractive Index:1.512
Boiling Point:277.479°C at 760 mmHg
Flash Point:161.568°C
PSA：17.07000
Density:1.067
LogP:3.49770
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:210.0811428
Heavy Atom Count:14
Complexity:197

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(=O)CC1=CC=C(C=C1)Cl

Technology Process of 1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

There total 6 articles about 1-(4-Chlorophenyl)-3,3-dimethylbutan-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: 78.0%

: 630-18-2
tert-butyl isocyanide

: 107323-82-0
4-chlorobenzylmagnesium bromide

: 39489-86-6
3,3-dimethyl-1-(4-chlorophenyl)butan-2-one

Guidance literature:: tert-butyl isocyanide; 4-chlorobenzylmagnesium bromide; In xylene; for 18h; Heating;

With hydrogenchloride; Heating;
DOI:10.1021/jm051058x

Reference yield:

: 106-39-8
bromochlorobenzene

: 75-97-8
3,3-dimethyl-butan-2-one

: 39489-86-6
3,3-dimethyl-1-(4-chlorophenyl)butan-2-one

: 1,1-di-(4-chlorophenyl)-3,3-dimethyl-2-butanone

: 1-(4-chlorophenyl)-1-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-butanone

Guidance literature:: With sodium t-butanolate; palladium diacetate; In toluene; at 85 ℃; for 7h; Further Variations:; Catalysts; Temperatures; Product distribution;
DOI:10.1002/adsc.200390062