7307-02-0

Basic information

• Product Name: heptane-2,4-dione
• Synonyms: heptane-2,4-dione;2,4-HEPTANEDIONE
• CAS NO: 7307-02-0
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.16898
• EINECS: 230-759-5
• Mol File: 7307-02-0.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 174.05°C (estimate)
• Flash Point: 63.4 °C
• Appearance: /
• Density: 0.9805 (rough estimate)
• Vapor Pressure: 1.23mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• PKA: pK1:8.43(keto);9.15(enol) (25°C)
• CAS DataBase Reference: heptane-2,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: heptane-2,4-dione(7307-02-0)
• EPA Substance Registry System: heptane-2,4-dione(7307-02-0)

Safety Data

• Hazardous Substances Data: 7307-02-0(Hazardous Substances Data)

Usage

Description

Heptane-2,4-dione, also known as 2,4-heptanedione or diacetyl, is a chemical compound with the molecular formula C7H12O2. It is a yellowish-green liquid with a strong, pungent odor and is soluble in water. heptane-2,4-dione is commonly used as a reagent in organic synthesis, particularly for the production of various flavoring compounds. Additionally, it is a byproduct of fermentation processes and contributes to the characteristic taste and aroma of many foods and beverages. However, due to its potential harmful effects, including respiratory issues and carcinogenic properties, it is crucial to handle and use heptane-2,4-dione with caution and in compliance with safety regulations.

Uses

Used in Organic Synthesis:
Heptane-2,4-dione is used as a reagent in organic synthesis for the production of various flavoring compounds. Its chemical properties make it a versatile building block in the synthesis of complex organic molecules, particularly those with aromatic or fruity notes.
Used in Food and Beverage Industry:
Heptane-2,4-dione is used as a flavoring agent in the food and beverage industry. It contributes to the characteristic taste and aroma of many products, enhancing their sensory appeal. However, due to its potential health risks, it is essential to use this compound within safe limits and in accordance with regulatory guidelines.
Used in Research and Development:
Heptane-2,4-dione is utilized in research and development for studying its chemical properties, reactions, and potential applications in various fields. Scientists and researchers explore its use in the synthesis of new compounds, understanding its role in fermentation processes, and evaluating its potential health effects.

InChI:InChI=1/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3

Upstream product

• 107-87-9 2-Pentanone 
• 141-78-6 ethyl acetate 
• 123-19-3 4-heptanone 
• 589-38-8 n-hexan-3-one 
• 105-54-4 butanoic acid ethyl ester 
• 106-31-0 butanoic acid anhydride 
• 108-22-5 Isopropenyl acetate 
• 141-97-9 ethyl acetoacetate 
• 75-03-6 ethyl iodide 
• 123-54-6 acetylacetone 
• 67-64-1 acetone 
• 1694-31-1 tert-butyl acetoacetate 
• 141-75-3 butyryl chloride 
• 698-76-0 6-propyl-tetrahydro-pyran-2-one 

Downstream Products

• 7707-85-9 pyruvaldehyde bis-phenylhydrazone 
• 107-92-6 butyric acid 
• 64-19-7 acetic acid 
• 107-87-9 2-Pentanone 
• 141-78-6 ethyl acetate 
• 105-54-4 butanoic acid ethyl ester 
• 67-64-1 acetone 
• 106596-35-4 sulfanilic acid-(4-methyl-6-propyl-pyrimidin-2-ylamide) 
• 6303-76-0 3.3-Dimethylheptandion-2.4 
• 92887-74-6 4,6-Diethyl-2-(4-toluidino)pyrimidin 
• 20748-86-1 heptane-2,4-diol 
• 13152-54-0 3-methyl-2,4-heptanedione 
• 103-84-4 Acetanilid 
• 854700-42-8 5-methyl-1-(4-nitro-phenyl)-4-propionyl-1H-pyrazole-3-carboxylic acid 

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).

ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS

This invention relates to novel substituted benzamide according to Formula (I) which are inhibitors of Enhancer of Zeste Homolog 2 (EZH2), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy for the treatment of cancers.

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.