6-Methyl-2,4-heptanedione
6-Methyl-2,4-heptanedione (CAS 3002-23-1) is a versatile organic compound with the molecular formula (CH3)2CHCH2COCH2COCH3 and a molecular weight of 142.20 g/mol. This diketone serves as a valuable building block in organic synthesis. Its reactivity lends itself to various condensation and addition reactions, making it useful in the preparation of heterocyclic compounds, functionalised molecules, and as a participant in oxidative transformations.
- IUPAC
- Isovalerylacetone,NSC 42238,NSC 42240,NSC 46469,NSC 94
- Synonyms
- (CH3)2CHCH2COCH2COCH3IsovalerylacetoneNSC 42238NSC 42240NSC 46469NSC 94
Synthesis of Heterocyclic Compounds
This compound is employed in cyclocondensation reactions, for example, in the synthesis of disubstituted furans from dibromo(phenylsulfonyl)propene derivatives. It also participates in Knoevenagel condensation reactions.
Pharmaceutical Intermediate Synthesis
6-Methyl-2,4-heptanedione is utilised in the creation of molecules with potential pharmaceutical activity. It has been used in the synthesis of compounds designed as dual activity effectors for angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ.
Organic Reaction Participant
Its dicarbonyl structure allows it to engage in various addition reactions with alkynes and oxidative free radical reactions with specific substrates like 2-amino-1,4-benzoquinones.
Carboxylic Acid Precursor
The compound can be subjected to mild oxidative cleavage reactions, serving as a precursor for the synthesis of carboxylic acids.
| Molecular weight | 142.20 |
|---|---|
| Linear formula | (CH3)2CHCH2COCH2COCH3 |
| Assay | ≥98% |
| Colour | colorless to faint yellow |
| Density | 0.92 g/mL at 25 °C(lit.) |
| Storage temperature | 2-8°C |
| Application | Reactant involved in:• Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)propene derivatives for synthesis of disubstituted furans1• Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ 2• Addition reactions with 1-alkynes3• Knoevenagel condensation4• Oxidative free radical reactions with 2-amino-1,4-benzoquinones5• Mild oxidative cleavage for synthesis of carboxylic acids6 |
Hazard statements
- H226Flammable liquid and vapour
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 59 °C / 138.2 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 6-Methyl-2,4-heptanedione used for?
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6-Methyl-2,4-heptanedione is used as a building block in organic synthesis, for preparing heterocyclic compounds, pharmaceutical intermediates, and in various addition and oxidative reactions.
What is the CAS number and molecular formula for 6-Methyl-2,4-heptanedione?
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The CAS number is 3002-23-1 and the linear molecular formula is (CH3)2CHCH2COCH2COCH3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 6-Methyl-2,4-heptanedione with an assay of ≥98%. We do not represent this product as USP, BP, or EP grade.
How should 6-Methyl-2,4-heptanedione be handled safely?
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6-Methyl-2,4-heptanedione is a flammable liquid and vapour (H226), causes skin irritation (H315), serious eye irritation (H319), and may cause respiratory irritation (H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area.
Is 6-Methyl-2,4-heptanedione a controlled substance?
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Based on the provided data, there is no indication that 6-Methyl-2,4-heptanedione is a controlled substance.
How is 6-Methyl-2,4-heptanedione packed and exported?
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Tech Serve Solutions, as a specialist global supplier and exporter, ensures appropriate packing and adherence to regulations for international shipments of 6-Methyl-2,4-heptanedione.
How can I request a sample or quote for 6-Methyl-2,4-heptanedione?
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To request a sample or a quote for 6-Methyl-2,4-heptanedione, please contact the Tech Serve Solutions sales team through our website or designated contact channels.
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