ChemicalBook--->CAS DataBase List--->39207-65-3

39207-65-3

39207-65-3 Structure

39207-65-3 Structure
IdentificationBack Directory
[Name]

2-Isobutyrylcyclohexanone
[CAS]

39207-65-3
[Synonyms]

2-Isobutyrylcyclohexanone
2-ISOBYTYRYLCYCLOHEXANONE
2-Isobutyrylcyclohexan-1-one
2-Isobutyrylcyclohexanone 96%
2-(2-Methylpropanoyl)cyclohexanone
2-(2-Methyl-1-oxopropyl)cyclohexanone
2-(2-Methylpropanoyl)cyclohexan-1-one
Cyclohexanone, 2-(2-methyl-1-oxopropyl)-
2-Isobutyrylcyclohexanone(~96% enol form)
2-Isobutyrylcyclohexanone, 99% (~96% enol form)
2-Isobutyrylcyclohexanone, 96% (~96% enol form)
2-ISOBUTYRYLCYCLOHEXANONE,2-(2-METHYL-1-OXOPROPYL)CYCLOHEXANONE
39207-65-3 C10H16O2 2-Isobutyrylcyclohexanone high quality with competitive price
[Molecular Formula]

C10H16O2
[MDL Number]

MFCD00466185
[MOL File]

39207-65-3.mol
[Molecular Weight]

168.233
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of 2-Isobutyrylcyclohexanone

A solution of isobutyryl chloride (5.25 g, 0.0492 mol) in anhydrous chloroform (10 ml) was added to a mixture of 1-morpholinocyclohexene (7.9 g, 0.0472 mol) and triethylamine (5.16 g, 0.606 mol) in chloroform (35 ml) at room temperature for more than 30 minutes. The resulting slurry was stirred overnight at room temperature, 20% HCl aqueous solution (25 ml) was added, and the mixture was heated under reflux for 5 hours. The solution was cooled and the aqueous layer was removed, and the pH was checked to ensure it remained acidic.

The organic layer was washed with saturated NaHCO3 (2×20 ml) and brine (20 ml), dried with magnesium sulfate, and concentrated to dryness to give crude 2-Isobutyrylcyclohexanone, orange oil, yield (6.791 g).
Chemical PropertiesBack Directory
[Melting point ]

38°C
[Boiling point ]

266℃
[density ]

1.0076 g/mL at 25 °C
[refractive index ]

n20/D 1.5006
[Fp ]

104 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

liquid
[pka]

10.83±0.20(Predicted)
[color ]

colorless
[InChI]

InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
[InChIKey]

PFOYYSGBGILOQZ-UHFFFAOYSA-N
[SMILES]

C1(=O)CCCCC1C(=O)C(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2914290090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

2-Isobutyrylcyclohexanone can be used as antitumor agents.
[reaction suitability]

reagent type: ligand
Spectrum DetailBack Directory
[Spectrum Detail]

2-Isobutyrylcyclohexanone(39207-65-3)1HNMR
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