39207-65-3

Basic information

• Product Name: 2-Isobutyrylcyclohexanone
• Synonyms: 2-(2-Methyl-1-oxopropyl)cyclohexanone;2-Isobutyrylcyclohexanone;2-ISOBUTYRYLCYCLOHEXANONE,2-(2-METHYL-1-OXOPROPYL)CYCLOHEXANONE;2-Isobutyrylcyclohexanone, 99% (~96% enol form);2-Isobutyrylcyclohexanone, 96% (~96% enol form);2-(2-Methylpropanoyl)cyclohexan-1-one;2-(2-Methylpropanoyl)cyclohexanone;2-ISOBYTYRYLCYCLOHEXANONE
• CAS NO: 39207-65-3
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23284
• Product Categories: Heterocycles series;organic compound;Achiral Oxygen
• Mol File: 39207-65-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 38°C
• Boiling Point: 266℃
• Flash Point: 104 °C
• Appearance: colorless/liquid
• Density: 1.0076 g/mL at 25 °C
• Vapor Pressure: 0.009mmHg at 25°C
• Refractive Index: n20/D 1.5006
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform, Methanol (Slightly)
• PKA: 10.83±0.20(Predicted)
• CAS DataBase Reference: 2-Isobutyrylcyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Isobutyrylcyclohexanone(39207-65-3)
• EPA Substance Registry System: 2-Isobutyrylcyclohexanone(39207-65-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 39207-65-3(Hazardous Substances Data)

Usage

Uses

2-Isobutyrylcyclohexanone can be used as antitumor agents.

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

Upstream product

• 96520-00-2 2-[1-tert-Butylamino-2-methyl-prop-(Z)-ylidene]-cyclohexanone 
• 108-94-1 cyclohexanone 
• 79-30-1 isobutyryl chloride 
• 547-63-7 Methyl isobutyrate 
• 670-80-4 4-cyclohexen-1-ylmorpholine 

Downstream Products

• 55277-54-8 8-Methyl-7-oxononanoic acid 
• 91266-46-5 4,5,6,7-tetrahydro-2-phenyl-3-isopropylindazole 
• 75379-01-0 2-phenyl-3-isopropylindazole 
• 1241621-67-9 2-phenylethyl 8-methyl-7-oxononanoate 
• 103-48-0 phenylethyl isobutyrate 
• 1189582-81-7 methyl 4-[(3-(1-methylethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)methyl]benzoate 
• 371930-42-6 3-hydroxy-1-isopropyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 
• 1446518-30-4 2-iso-butyrylcyclohex-1-enyl prop-2-ynyl carbonate 

Relevant articles and documents

Method for preparing alkane carboxylic acid by increasing alkane carbon chains

The invention discloses a method for preparing alkane carboxylic acid by increasing alkane carbon chains. The method comprises the following steps: (1) carrying out Stork enamine alkylation on cyclopentanone or cyclohexanone and a secondary amine compound to generate a corresponding 1-position secondary amine substituted cyclopentene or cyclohexene crude product, namely Stork enamine; (2) carrying out electrophilic reagent reaction on the Stork enamine and acyl halide to form a 2-acyl cyclic ketone compound; and (3) carrying out ring opening on the 2-acyl cyclic ketone compound under the action of alkali to generate a carbonyl carboxylic acid compound, and carrying out a Wolff-Huang Minglong reduction reaction on the carbonyl carboxylic acid compound to obtain the corresponding alkane carboxylic acid. According to the method disclosed by the invention, cyclopentanone or cyclohexanone can be flexibly selected to meet the requirement of increasing different carbon numbers according to the required carbon number and different sources of target carburant alkane carboxylic acid or corresponding acyl halide. The method has the advantages of simple reaction process and no complex operation difficulty, and is suitable for industrial mass production.

Targeting Staphylococcus aureus quorum sensing with nonpeptidic small molecule inhibitors

A series of 3-oxo-C12-HSL, tetramic acid, and tetronic acid analogues were synthesized to gain insights into the structural requirements for quorum sensing inhibition in Staphylococcus aureus. Compounds active against agr were noncompetitive inhibitors of the autoinducing peptide (AIP) activated AgrC receptor, by altering the activation efficacy of the cognate AIP-1. They appeared to act as negative allosteric modulators and are exemplified by 3-tetradecanoyltetronic acid 17, which reduced nasal cell colonization and arthritis in a murine infection model.

Amidine dications as superelectrophiles

2-Dimethylalkylammonium pyridinium and 2-dimethylalkylammonium pyrimidinium ditriflate salts are very powerful methylating agents toward phosphorus (triphenylphosphine) and nitrogen (triethylamine) nucleophiles. In competition experiments with triethylamine as nucleophile, these N-methyl disalts are more reactive methylating agents than dimethyl sulfate. Reaction of the pyridinium dications with water as an oxygen nucleophile leads to attack at the 2-position of the heteroaromatic ring and displacement of an ammonium group; 2-hydroxypyridinium compounds are formed in the first instance, which are easily converted to 2-pyridones. Extending the scope of the reactions, a tricationic 2,6-bis(dimethylalkylammonium) pyridinium salt has also been prepared and characterized and its reactivity as a methylating agent assessed in comparison with that of the dications.