3,3-Dimethyl-4-phenylbutan-2-one

Base Information

Chemical Name:3,3-Dimethyl-4-phenylbutan-2-one
CAS No.:13705-37-8
Molecular Formula:C12H16 O
Molecular Weight:176.258
Hs Code.:2914399090
European Community (EC) Number:237-240-2
DSSTox Substance ID:DTXSID80160055
Nikkaji Number:J278.003H
Wikidata:Q83028434
Mol file:13705-37-8.mol

Synonyms:3,3-Dimethyl-4-phenylbutan-2-one;13705-37-8;3,3-dimethyl-4-phenyl-2-butanone;EINECS 237-240-2;SCHEMBL6552350;DTXSID80160055;2-Butanone, 3,3-dimethyl-4-phenyl-

Suppliers and Price of 3,3-Dimethyl-4-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

Atlantic Research Chemicals
3,3-Dimethyl-4-phenyl-2-butanone 95%
1gm:
$ 420.61

Total 5 raw suppliers

Chemical Property of 3,3-Dimethyl-4-phenylbutan-2-one

Chemical Property:

Vapor Pressure:0.0238mmHg at 25°C
Boiling Point:248.8°Cat760mmHg
Flash Point:95°C
PSA：17.07000
Density:0.95g/cm³
LogP:2.84430
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:176.120115130
Heavy Atom Count:13
Complexity:176

Purity/Quality:

99% ^*data from raw suppliers

3,3-Dimethyl-4-phenyl-2-butanone 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3,3-Dimethyl-4-phenylbutan-2-one

There total 8 articles about 3,3-Dimethyl-4-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: 91.0%

: 35863-45-7
2,2-dimethyl-3-phenylpropanenitrile

: 917-54-4
methyllithium

: 13705-37-8
3,3-dimethyl-4-phenyl-2-butanone

Guidance literature:: 2,2-dimethyl-3-phenylpropanenitrile; methyllithium; In tetrahydrofuran; diethyl ether; at 0 - 5 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; at 20 ℃;
DOI:10.1002/ejoc.200400157

Reference yield: 86.0%

: 3,3-dimethyl-2-methylene-4-phenyloxetane

: 13705-37-8
3,3-dimethyl-4-phenyl-2-butanone

Guidance literature:: 3,3-dimethyl-2-methylene-4-phenyloxetane; With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 20 ℃; for 2h;

With water; In tetrahydrofuran; at -78 ℃; for 1h;
DOI:10.1016/S0040-4039(00)00059-9