2-Isobutyrylcyclohexanone

Base Information

Chemical Name:2-Isobutyrylcyclohexanone
CAS No.:39207-65-3
Molecular Formula:C10H16O2
Molecular Weight:168.236
Hs Code.:2914299000
European Community (EC) Number:628-199-5
DSSTox Substance ID:DTXSID90466818
Nikkaji Number:J2.453.364F
Mol file:39207-65-3.mol

Synonyms:2-Isobutyrylcyclohexanone;39207-65-3;2-(2-Methyl-1-oxopropyl)cyclohexanone;2-(2-methylpropanoyl)cyclohexan-1-one;2-Isobutyrylcyclohexan-1-one;MFCD00466185;2-Isobutyryl-cyclohexanone;2-(2-methylpropanoyl)cyclohexanone;Cyclohexanone, 2-(2-methyl-1-oxopropyl)-;2-isobutyryl cyclohexanone;SCHEMBL900888;2-Isobutyrylcyclohexanone, 96%;3-(4-Phenoxyphenyl)propionicacid;DTXSID90466818;PFOYYSGBGILOQZ-UHFFFAOYSA-N;AMY20641;STR08161;AKOS012624058;CS-W007715;BP-21288;SY023200;2-Isobutyrylcyclohexanone (total of isomers);A6569;FT-0604235;I1131;F10360;EN300-1126796;2-Isobutyrylcyclohexanone, 96% (~96% enol form)

Suppliers and Price of 2-Isobutyrylcyclohexanone

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

TRC
2-Isobutyrylcyclohexanone
500mg
$ 70.00

TRC
2-Isobutyrylcyclohexanone
50mg
$ 45.00

SynQuest Laboratories
2-Isobutyrylcyclohexan-1-one 97%
5 g
$ 140.00

Strem Chemicals
2-Isobutyrylcyclohexanone, 96% (~96% enol form)
1g
$ 117.00

Strem Chemicals
2-Isobutyrylcyclohexanone, 96% (~96% enol form)
5g
$ 470.00

Sigma-Aldrich
2-Isobutyrylcyclohexanone 96%
5g
$ 263.00

Sigma-Aldrich
2-Isobutyrylcyclohexanone 96%
1g
$ 85.10

Matrix Scientific
2-Isobutyrylcyclohexan-1-one >95%
1g
$ 78.00

Matrix Scientific
2-Isobutyrylcyclohexan-1-one >95%
5g
$ 272.00

Crysdot
2-Isobutyrylcyclohexanone 95+%
25g
$ 396.00

Total 51 raw suppliers

Chemical Property of 2-Isobutyrylcyclohexanone

Chemical Property:

Vapor Pressure:0.009mmHg at 25°C
Melting Point:38°C
Refractive Index:n20/D 1.5006
Boiling Point:265.916 °C at 760 mmHg
PKA:10.83±0.20(Predicted)
Flash Point:98.402 °C
PSA：34.14000
Density:1.004 g/cm³
LogP:1.97080
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform, Methanol (Slightly)
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.115029749
Heavy Atom Count:12
Complexity:194

Purity/Quality:

97% ^*data from raw suppliers

2-Isobutyrylcyclohexanone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)C1CCCCC1=O
Uses 2-Isobutyrylcyclohexanone can be used as antitumor agents.

Technology Process of 2-Isobutyrylcyclohexanone

There total 5 articles about 2-Isobutyrylcyclohexanone 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: 81.0%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 79-30-1
isobutyryl chloride

: 39207-65-3
2-(2-methyl-1-oxopropane)cyclohexanone

Guidance literature:: With magnesium bromide diethyl etherate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 12h; Inert atmosphere;
DOI:10.1021/acs.joc.9b00397