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

Description

3,5-Heptanedione is an organic compound with the molecular formula C7H12O2. It is a colorless to pale yellow liquid with a strong, pungent odor. It is soluble in water and organic solvents, and is commonly used as a synthetic intermediate in the chemical industry.

Uses

Used in Pharmaceutical Industry:
3,5-Heptanedione is used as a synthetic intermediate for the preparation of 3,5-diethylpyrazole hydrochloride, which is a pharmaceutical compound with potential therapeutic applications.
Used in Chemical Industry:
3,5-Heptanedione is used as a reagent in the enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis. This reaction is an important method for the synthesis of chiral compounds, which are widely used in the pharmaceutical, agrochemical, and fragrance industries.

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

Upstream product

• 67079-88-3 3-hydroxyheptan-5-one 
• 554-12-1 propanoic acid methyl ester 
• 78-93-3 butanone 
• 75-15-0 carbon disulfide 
• 7446-70-0 aluminium trichloride 
• 108-05-4 vinyl acetate 
• 79-03-8 propionyl chloride 
• 56580-16-6 C₅H₅O₂^(3-)*2Li⁽¹⁺⁾*Na⁽¹⁺⁾ 
• 74-88-4 methyl iodide 
• 105-37-3 Ethyl propionate 
• 59892-34-1 (Z)-5-Hydroxy-hept-4-en-3-one 
• 1663-67-8 malonoyl dichloride 
• 925-90-6 ethylmagnesium bromide 
• 67079-70-3 1,2-diethyl-1,2-bis-trimethylsilanyloxy-cyclopropane 

Downstream Products

• 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 
• 77291-90-8 (R,R)-3,5-Heptanediol 
• 39655-32-8 1,2-Diphenyl-3-dipropionylmethylencyclopropen 
• 129212-21-1 (3S,5S)-3,5-heptanediol 
• 1187-04-8 4-methyl-3,5-heptanedione 
• 67205-80-5 4-[4-(2-Chloro-4-methoxystyryl)-2-chlorobenzyl]heptane-3,5-dione 
• 52122-46-0 4-[6-(4-hydroxy-phenyl)-hexyl]-heptane-3,5-dione 
• 56219-63-7 4-[7-(4-Carbethoxyphenoxy)heptyl]-3,5-heptanedione 
• 67205-82-7 4-[4-(2-chloro-4-methoxystyryl)benzyl]heptane-3,5-dione 
• 66619-79-2 1,4-bis(4,4-dipropionylbutyloxy)benzene 

Relevant articles and documents

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 method of medical intermediate beta-diketone compound

The invention provides a preparation method of a medical intermediate beta-diketone compound. The preparation method comprises the step of performing a reaction on a ketone compound shown as a formulaI and an ester compound shown as a formula II in an organic solvent in the presence of an alkali catalyst to obtain the beta-diketone compound shown as a formula III, wherein the formula I is R1-CO-CHR2R3, the formula II is R4-CO-OR5 and the formula III is R1-CO-C(R2R3)-CO-R4. By the preparation method, the selectivity and the reaction yield of the product can be effectively increased, the reaction yield can reach 72.4%, the post-reaction treatment difficulty is reduced, the pollution to the environment is reduced, the production cost is reduced, and the economic efficiency and safety of production are improved.

Preparation method of beta-dione compound

The invention relates to the field of compound preparation, and discloses a preparation method of a beta-dione compound. The method comprises: in the presence of a solvent and alkali metal potassium alcoholate, reacting methyl carboxylate with ketone. The method is high in yield, is safe, and is suitable for industrial application. Particularly, when 3,5-heptadione is prepared through the method, the yield of 3,5-heptadione can reach more than 60%, wherein the yield is far more higher than that in the prior art by taking DMF as a solvent.