3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-one

Base Information

Chemical Name:3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-one
CAS No.:27185-77-9
Molecular Formula:C13H18 O2
Molecular Weight:206.285
Hs Code.:
DSSTox Substance ID:DTXSID60865511
Mol file:27185-77-9.mol

Synonyms:3-Oxo-b-ionone;DTXSID60865511;3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-one;2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one;4-(2,6,6 -trimethyl-3-oxo-cyclohex-1-en-1-yl)-but-3-en-2-one;4-(2,6,6-trimethyl-3-oxo-cyclohex-1-en-1-yl)-but- 3-en-2-one;4-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-but- 3-en-2-one

Suppliers and Price of 3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-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 6 raw suppliers

Chemical Property of 3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-one

Chemical Property:

Vapor Pressure:0.000263mmHg at 25°C
Boiling Point:323.4°Cat760mmHg
Flash Point:121.1°C
PSA：34.14000
Density:1.03g/cm³
LogP:2.83720
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:357

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=O)(C)C)C=CC(=O)C

Technology Process of 3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-2-en-1-one

There total 3 articles about 3-(3-Oxobut-1-enyl)-2,4,4-trimethylcyclohex-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: 76.0%

: 127-41-3,6901-97-9,14398-36-8,24190-29-2,30685-95-1,31798-12-6,52340-45-1,67529-94-6,67529-95-7
alpha-ionone

: 27185-77-9
(E)-2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

Guidance literature:: With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 12h; Reflux; Inert atmosphere;
DOI:10.1021/acs.joc.1c00529

Reference yield: 68.0%

: 79-77-6,14901-07-6
(E)-β-ionone

: 27185-77-9
(E)-2,4,4-trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

Guidance literature:: With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 12h; Reflux; Inert atmosphere;
DOI:10.1021/acs.joc.1c00529