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

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

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

• 123-19-3 4-heptanone 
• 141-78-6 ethyl acetate 
• 589-38-8 n-hexan-3-one 
• 106-31-0 butanoic acid anhydride 
• 141-97-9 ethyl acetoacetate 
• 105-54-4 butanoic acid ethyl ester 
• 67-64-1 acetone 
• 7637-07-2 boron trifluoride 
• 108-24-7 acetic anhydride 
• 107-87-9 2-Pentanone 
• 60-29-7 diethyl ether 
• 108-22-5 Isopropenyl acetate 
• 100949-52-8 5-bromo-4-ethoxy-hept-1-yne 
• 3249-68-1 ethyl butyroyl acetate 

Downstream Products

• 7707-85-9 pyruvaldehyde bis-phenylhydrazone 
• 107-92-6 butyric acid 
• 6303-76-0 3.3-Dimethylheptandion-2.4 
• 103-84-4 Acetanilid 
• 854700-42-8 5-methyl-1-(4-nitro-phenyl)-4-propionyl-1H-pyrazole-3-carboxylic acid 
• 13152-54-0 3-methyl-2,4-heptanedione 
• 141-78-6 ethyl acetate 
• 105-54-4 butanoic acid ethyl ester 
• 34549-87-6 ethyl 4-butyl-3,5-dimethylpyrrole-2-carboxylate 
• 4962-78-1 4-ethyl-3-methyl-5-propyl-pyrrole-2-carboxylic acid ethyl ester 
• 20748-86-1 heptane-2,4-diol 
• 92887-74-6 4,6-Diethyl-2-(4-toluidino)pyrimidin 
• 106596-35-4 sulfanilic acid-(4-methyl-6-propyl-pyrimidin-2-ylamide) 
• 854700-40-6 5-methyl-1-(4-nitro-phenyl)-4-propionyl-1H-pyrazole-3-carboxylic acid ethyl ester 

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).

AZAINDAZOLES

Herein are disclosed azaindazoles of formula (I), (I), where the various groups are defined herein, and which are useful for treating cancer.

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.

Porphyrins with exocyclic rings. Part 22: Synthesis of deoxophylloerythroetioporphyrin (DPEP), three ring homologues, and five related nonpolar bacteriopetroporphyrins using a western ring closure and an improved b-bilene methodology

Dipyrrolic intermediates incorporating five-membered carbocyclic rings are easily prepared from cyclopenta[b]pyrroles, and this unit represents the southern half of the DPEP-type geoporphyrins found in organic-rich sediments such as oil shales and petroleum. Related dipyrroles with six-, seven- or eight-membered carbocyclic rings were shown to give b-bilenes when reacted with dipyrrylmethane carbaldehydes under mildly acidic conditions. Following deprotection of the terminal ester groups, cyclization with TFA-CH(OMe)3 gave a series of ring homologues of deoxophylloerythroetioporphyrin (DPEP). The b-bilenes generated from the five-membered ring dipyrroles proved to be rather unstable and had to be used directly without purification. Cyclization gave DPEP contaminated with an etioporphyrin by-product, but these could be separated as the nickel(II) derivatives by flash chromatography. This approach gave superior yields of DPEP compared to previously reported methods. In addition, the methodology could be extended to the synthesis of related petroporphyrins, and a series of five molecular fossils derived from bacteriochlorophylls d were synthesized by this approach.

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.

Method for preparing chiral diphosphines

The invention concerns a method for preparing a compound of formula (1) wherein: A represents naphthyl or phenyl optionally substituted; and Ar1, Ar2independently represent a saturated or aromatic carbocyclic group, optionally substituted.

Asymmetric hydrogenation method of a ketonic compound and derivative

The present invention relates to a process for the asymmetric hydrogenation of a ketonic compound and derivative. The invention relates to the use of optically active metal complexes as catalysts for the asymmetric hydrogenation of a ketonic compound and derivative. The process for the asymmetric hydrogenation of a ketonic compound and derivative is characterized in that the asymmetric hydrogenation of said compound is carried out in the presence of an effective amount of a metal complex comprising as ligand an optically active diphosphine corresponding to one of the following formulae: STR1

Intramolecular H-Transfer Reactions During the Decomposition of Alkylhydroperoxides in Hydrocarbons as the Solvents

Eight defined primary and secondary alkylhydroperoxides were decomposed in n-alkanes as the solvent, mostly in the presence of manganese stearate.In all cases the corresponding alcohols and carbonyl compounds were formed as the main products with yields of 60-90percent.Besides, difunctional products were formed by an intramolecular H-transfer in the alkoxy radicals corresponding to the starting hydroperoxides.Products possibly formed by an intramolecular H-transfer in the corresponding alkylperoxy radical could be found only in the case of 4-methyl-2-hydroperoxy pentane.The amount of products formed by intramolecular H-transfer depended on the nature of the C-H bond in δ-position to the original hydroperoxy group and lay between 4percent (primary C-H in the case of 4-hydroperoxy heptane) and 13percent (tertiary C-H in the case of 2-hydroperoxy-5-methyl hexane) with respect to the starting hydroperoxide.The amount of products formed by oxidative attack of the alkoxy and alkylperoxy radicals at the normal paraffins used as the solvents was unexpectedly low (always less than 10percent with respect to the starting hydroperoxide).An increment system is proposed for the calculation of 13C-nmr shifts in alkyl hydroperoxides.

The Autoxidation of Hept-3-yne

In the reaction mixtures of the oxidation of hept-3-yne with molecular oxygen as products of the attack on the C-C triple bond heptane-3,4-dione, propionic and butyric acids and a very small amount of 2-ethylvaleric acid were found.Hept-2-en-4-one and hept-3-en-5-one were probably present, but could not be identified unambiguously.As in the case of the isomeric octynes the main primary reaction products were the hydroperoxides formed by attack on the C-H bonds in α-position to the CC triple bond.