20734-29-6

Basic information

• Product Name: 2,2-dimethylheptane-3,5-dione
• Synonyms: 2,2-Dimethyl-3,5-heptanedione; 2,2-Dimethylheptane-3,5-dione; 3,5-heptanedione, 2,2-dimethyl-
• CAS NO: 20734-29-6
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.2221
• Mol File: 20734-29-6.mol

Chemical Properties

• Boiling Point: 211.8°C at 760 mmHg
• Flash Point: 75.8°C
• Density: 0.911g/cm³
• Vapor Pressure: 0.179mmHg at 25°C
• Refractive Index: 1.424
• PKA: 10.30±0.10(Predicted)
• CAS DataBase Reference: 2,2-dimethylheptane-3,5-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-dimethylheptane-3,5-dione(20734-29-6)
• EPA Substance Registry System: 2,2-dimethylheptane-3,5-dione(20734-29-6)

Safety Data

• Hazardous Substances Data: 20734-29-6(Hazardous Substances Data)

Upstream product

• 109839-35-2 2,2-dimethyl-heptane-3,5-dione 4,5-enol tautomer 

Downstream Products

• 92916-68-2 Benzoic acid [1-ethyl-4,4-dimethyl-3-oxo-pent-(E)-ylidene]-hydrazide 

Relevant articles and documents

METHOD FOR EXTRACTING ASYMMETRIC B-DIKETONE COMPOUND FROM B-DIKETONE COMPOUND

The present invention provides a method of extracting an asymmetric β-diketone compound from a β-diketone compound containing at least one symmetric β-diketone compound mixed in the asymmetric β-diketone compound, and the method includes the step (A) of adjusting a pH of a mixed solution of the β-diketone compound and water at 11.5 or more and dissolving the β-diketone compound into water to form a β-diketone compound solution and the step (B) of subsequently adjusting the pH of the β-diketone compound solution at 9.5 or less and recovering the asymmetric β-diketone compound of Chemical Formula 1 separated from the β-diketone compound solution. The present invention further includes at least either (a) a step of setting the upper limit of the pH of the mixed solution to 12.5 to form a β-diketone compound solution in the step (A) and bringing the β-diketone compound solution into contact with a hydrophobic solvent or (b) a step of setting the lower limit of the pH of the β-diketone compound solution to 8.0 in the step (B).

PROCESSES FOR PREPARING β-DIKETONE COMPOUND, METAL COMPLEX THEREOF AND METALLIC COMPOUND

Disclosed is a process for preparing a β-diketone compound such as 2,6-dimethyl-3,5-heptanedione, which comprises reacting an ester compound such as an alkyl isobutyrate with a ketone compound such as 3-methylbutanone in the presence of an alkali metal alkoxide as a catalyst. The process comprises a step 1 in which an ester compound CR1R2R3COOQ is reacted with a ketone compound CR4R5R6COCH2R7 using an alkali metal alkoxide catalyst to give a β-diketone compound CR1R2R3COCHR4R5R6. (In the formulae, R7 is hydrogen or an alkyl group of 1 to 4 carbon atoms while others are each independently hydrogen or an alkyl group of 1 to 3 carbon atoms, and at least one of R1 to R6 is hydrogen.)