29736-80-9

Basic information

• Product Name: Methyl 3,5-dioxohexanoate
• Synonyms: 3,5-Dioxohexanoic acid methyl ester;Methyl 3,5-dioxohexanoate
• CAS NO: 29736-80-9
• Molecular Formula: C₇H₁₀O₄
• Molecular Weight: 158.1519
• Mol File: 29736-80-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 222℃
• Flash Point: 90℃
• Appearance: /
• Density: 1.115
• Storage Temp.: 2-8°C
• PKA: 7.72±0.10(Predicted)
• CAS DataBase Reference: Methyl 3,5-dioxohexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3,5-dioxohexanoate(29736-80-9)
• EPA Substance Registry System: Methyl 3,5-dioxohexanoate(29736-80-9)

Safety Data

• Hazardous Substances Data: 29736-80-9(Hazardous Substances Data)

Usage

General Description

Methyl 3,5-dioxohexanoate, also known as methyl acetylacetate, is a chemical compound with the molecular formula C6H10O3. It is a colorless liquid with a fruity odor, commonly used as a flavoring agent and in the production of pharmaceuticals and perfumes. Methyl 3,5-dioxohexanoate is also used as a solvent in various chemical reactions and as a starting material in organic synthesis. It is flammable and should be handled with caution, as it can cause irritation to the skin and eyes upon contact. Overall, methyl 3,5-dioxohexanoate plays an important role in various industries and applications due to its versatile properties and uses.

InChI:InChI=1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3

Upstream product

• 771-03-9 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one 
• 67-56-1 methanol 
• 33176-11-3 2,7-dimethyl-4H-pyrano<3,2-c>-2H-pyran-4,5-dione 
• 74590-73-1 1,3-bis(trimethylsiloxy)-1-methoxybuta-1,3-diene 
• 75-36-5 acetyl chloride 

Downstream Products

• 58016-28-7 methyl 2,6-dihydroxy-6-pentylbenzoate 
• 675-10-5 4-hydroxy-6-methyl-2-pyron 
• 289054-51-9 methyl (5-methyl-1-phenylpyrazol-3-yl)acetate 
• 688762-78-9 (E)-8-(4-methoxybenzyloxy)-2,6-dimethyl-oct-6-en-1-ol 
• 688762-51-8 (E)-8-(4-methoxybenzyloxy)-2,6-dimethyl-oct-6-en-1-ol 
• 688762-99-4 3,5-dioxo-hexanoic acid (Z)-(S)-8-(4-methoxy-benzyloxy)-2,6-dimethyl-oct-6-enyl ester 
• 688762-74-5 (E)-8-(4-methoxybenzyloxy)-2,6-dimethyl-oct-6-en-1-ol 
• 688762-49-4 (E)-8-(4-methoxybenzyloxy)-2,6-dimethyl-oct-6-en-1-ol 
• 688762-95-0 3,5-dioxo-hexanoic acid (E)-(S)-8-(4-methoxy-benzyloxy)-2,6-dimethyl-oct-6-enyl ester 
• 119067-60-6 (6R)-6-methyl-5,6-dihydro-2H-pyran-2-one 
• 10048-32-5 (S)-parasorbic acid 
• 3187-58-4 methyl orsellinate 
• 1622874-11-6 C₂₃H₂₈FN₃O₆S 
• 1622874-05-8 C₂₉H₄₂FN₃O₆SSi 

Relevant articles and documents

New insights into the reduction of β,δ-diketo-sulfoxides

New developments in the reduction of β,δ-diketo-sulfoxides, a reaction that affords important key intermediates for total synthesis, are described. We showed without ambiguity using NMR experiments, that the β-carbonyl group is totally enolised. This result is inconsistent with the previous hypothesis, which supposed the other tautomer (enolisation at the δ-position) as the major one. We propose a rationale to explain the side reactions occurring during the reduction of unprotected β,δ-diketo-sulfoxides and showed that judicious protection of the δ-carbonyl group gave all diastereoisomers of β-hydroxy-δ-ketosulfoxides.

Chemistry of enol silyl ethers. A general synthesis of 3-hydroxyhomophthalates and a biomimetic synthesis of sclerin

A general synthesis of 3- hydroxyhomophthalates is developed and applied to the synthesis of sclerin (24), a compound possessing plant-growth activity; the critical step in the synthesis of 24 can be considered as the controlled condensation of a di-β-carbonyl unit with a tri-β-carbonyl unit.