7424-54-6

Basic information

• Product Name: 3,5-HEPTANEDIONE
• Synonyms: AKOS MSC-0375;3,5-HEPTANEDIONE;Dipropionylmethane;heptane-3,5-dione;(CH3CH2CO)2CH2;3,5-heptandione;3,5-Heptanedione 25GR;3,5-Heptanedione 5GR
• CAS NO: 7424-54-6
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17
• EINECS: 231-054-5
• Product Categories: Organics;C7 to C8;Carbonyl Compounds;Ketones;Building Blocks;C7 to C8;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 7424-54-6.mol
• Article Data: 18

Chemical Properties

• Melting Point: 26.25°C (estimate)
• Boiling Point: 175-177 °C754 mm Hg(lit.)
• Flash Point: 135 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 0.946 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0308mmHg at 25°C
• Refractive Index: n20/D 1.456(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 9.63±0.10(Predicted)
• BRN: 635979
• CAS DataBase Reference: 3,5-HEPTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-HEPTANEDIONE(7424-54-6)
• EPA Substance Registry System: 3,5-HEPTANEDIONE(7424-54-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25
• RIDADR: UN 1224 3/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 7424-54-6(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless liquid

Uses

Different sources of media describe the Uses of 7424-54-6 differently. You can refer to the following data:
1. Enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel (II)-diamine catalysis.1
2. 3,5-Heptanedione has been used in:preparation of 3,5-diethylpyrazole hydrochlorideenantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis

InChI:InChI=1/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3/b6-5-

Upstream product

• 105-37-3 Ethyl propionate 
• 78-93-3 butanone 
• 123-62-6 propionic acid anhydride 
• 105-53-3 diethyl malonate 
• 994-51-4 tetrakis-propionyloxy-silane 
• 59892-34-1 3,5-heptanedione enol 
• 67079-88-3 3-hydroxyheptan-5-one 
• 59892-34-1 (Z)-5-Hydroxy-hept-4-en-3-one 
• 75-15-0 carbon disulfide 
• 7446-70-0 aluminium trichloride 
• 108-05-4 vinyl acetate 
• 79-03-8 propionyl chloride 
• 504-64-3 carbon suboxide 
• 97-93-8 triethylaluminum 

Downstream Products

• 92916-86-4 (3,5-Diethyl-5-hydroxy-4,5-dihydro-pyrazol-1-yl)-phenyl-methanone 
• 80742-00-3 2-Benzylthio-4,6-diethylpyrimidin 
• 75519-32-3 1-(5-Chloro-2-nitro-phenyl)-3,5-diethyl-1H-pyrazole 
• 802294-64-0 propionic acid 
• 78-93-3 butanone 
• 52122-30-2 4-<6-(3,4-Dimethoxyphenyl)-3-ethyl-3-hexenyl>-3,5-heptandion 
• 400785-32-2 2-(4-benzyl-piperazin-1-yl)-4,6-diethyl-pyrimidine 
• 86397-90-2 1-(p-chlorophenyl)-3,4-diethoxycarbonyl-2,5-diphenylpyrrole 

Relevant articles and documents

Preparation method of medical intermediate 3,5-heptadione

The invention provides a preparation method of medical intermediate 3,5-heptadione. The preparation method comprises the following step: carrying out a reaction on raw materials butanone and methyl propionate in an organic solvent in the presence of an alkaline catalyst to obtain 3,5-heptadione. The method can improve the selectivity and the reaction yield of 3,5-heptadione effectively, and the reaction yield can reach 72.4%. The post-treatment difficulty of the reaction is reduced, the environmental pollution is alleviated, the production cost is lowered, and the production economical efficiency and safety are improved.

Preparation technology of 3,5-heptanedione

The invention discloses a preparation technology of 3,5-heptanedione. The technology comprises the steps of reacting ethyl propionate with methyl ethyl ketone in the presence of a water-insoluble aprotic solvent to obtain 3,5-heptanedione. According to the preparation technology of 3,5-heptanedione provided by the present invention, due to use of the water-insoluble aprotic solvent as a reaction solvent, the solvent is easy to recycle and production cost is saved.

Preparation process of 3,5-heptadione

The invention discloses a preparation process of 3,5-heptadione. The preparation process comprises the step of reacting by virtue of ethyl propionate and methyl ethyl ketone in the pretense of a non-water-soluble aprotic solvent, so as to obtain 3,5-heptadione. According to the preparation process of 3,5-heptadione, a non-water-soluble aprotic solvent is taken as a reaction solvent and is easy to recycle, so that the production cost is saved.