1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

Base Information

Chemical Name:1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione
CAS No.:39900-12-4
Molecular Formula:C13H20 O2
Molecular Weight:208.301
Hs Code.:
European Community (EC) Number:254-692-6
UNII:T78XI898CO
DSSTox Substance ID:DTXSID00192954
Nikkaji Number:J261.475H
Wikidata:Q27896786
Mol file:39900-12-4.mol

Synonyms:39900-12-4;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione;EINECS 254-692-6;T78XI898CO;1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione;UNII-T78XI898CO;1,3-Butanedione, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;4-oxodihydro-beta-ionone;SCHEMBL11328784;DTXSID00192954;Q27896786;1-(2,6,6-Trimethyl-cyclohex-1-enyl)-butane-1,3-dione;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1,3-butanedione;2,6,6-trimethyl-1-[1,3-dioxo-but-1-yl]-cyclohex-1-ene;1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1,3-butanedione #;1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTANE-1,3-DIONE;1 - (2,6,6 - trimethyl - 1 - cyclohexen - 1 - yl)butane - 1,3 - dione

Suppliers and Price of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

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 6 raw suppliers

Chemical Property of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

Chemical Property:

Vapor Pressure:0.00133mmHg at 25°C
Boiling Point:297.7°C at 760 mmHg
PKA:9.79±0.40(Predicted)
Flash Point:111.1°C
PSA：34.14000
Density:0.966g/cm³
LogP:3.06120
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:208.146329876
Heavy Atom Count:15
Complexity:321

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C(=O)CC(=O)C

Technology Process of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

There total 5 articles about 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione 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:

: 288-14-2
ISOXAZOLE

: 39900-12-4
1-(2,6,6-trimethyl-1-cyclohexenyl)-1,3-butanedione

Guidance literature:

Reference yield:

: 1-(2,6,6-trimethyl-3-cyclohexenyl)-1,3-butanedione

: 39900-11-3
1-(2,6,6-trimethyl-2-cyclohexenyl)-1,3-butanedione

: 39900-12-4
1-(2,6,6-trimethyl-1-cyclohexenyl)-1,3-butanedione

Guidance literature:: With sodium t-butanolate; In N,N-dimethyl-formamide; at 30 ℃; for 3h; Solvent; Reagent/catalyst; Temperature; Overall yield = 81.1 %;

Reference yield:

: 25915-53-1,41436-48-0
2,6,6-trimethyl-3-cyclohexenyl methyl ketone

: 39900-12-4
1-(2,6,6-trimethyl-1-cyclohexenyl)-1,3-butanedione

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium amide / 5,5-dimethyl-1,3-cyclohexadiene / 0.5 h / 50 °C

1.2: 1 h / 30 °C

2.1: sodium t-butanolate / N,N-dimethyl-formamide / 3 h / 30 °C

With sodium amide; sodium t-butanolate; In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl-formamide;