4341-24-6

Basic information

• Product Name: 5-METHYLCYCLOHEXANE-1,3-DIONE
• Synonyms: ASISCHEM C58480;AKOS BBS-00005780;5-METHYL-1,3-CYCLOHEXANEDIONE;5-METHYLCYCLOHEXANE-1,3-DIONE;5-METHYL-1,3-CYCLOHEXANDIONE;5-METHYL-1,3-CYCLOHEXANEDIONE 98+%;5-Methylcyclohexane-1,3-dione,98%;5-Methylcyclohexane-1,3-dione ,97%
• CAS NO: 4341-24-6
• Molecular Formula: C₇H₁₀O₂
• Molecular Weight: 126.15
• Product Categories: C7 to C8;Carbonyl Compounds;Ketones;Building Blocks;C7 to C8;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 4341-24-6.mol
• Article Data: 12

Chemical Properties

• Melting Point: 126-130 °C(lit.)
• Boiling Point: 194.28°C (rough estimate)
• Flash Point: 85.9 °C
• Appearance: White to beige crystals or powder
• Density: 1.0579 (rough estimate)
• Vapor Pressure: 0.0219mmHg at 25°C
• Refractive Index: 1.4660 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform, Methanol
• PKA: 5.29±0.20(Predicted)
• BRN: 1099692
• CAS DataBase Reference: 5-METHYLCYCLOHEXANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYLCYCLOHEXANE-1,3-DIONE(4341-24-6)
• EPA Substance Registry System: 5-METHYLCYCLOHEXANE-1,3-DIONE(4341-24-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 4341-24-6(Hazardous Substances Data)

Usage

Chemical Properties

White to beige crystals or powder

Uses

5-Methyl-1,3-cyclohexanedione has been used in the synthesis of:racemic (±)-fawcettimine3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one

InChI:InChI=1/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h4-5,8H,2-3H2,1H3/t5-/m0/s1

Upstream product

• 60-29-7 diethyl ether 
• 38052-21-0 3-methyl-5-oxo-hexanoic acid ethyl ester 
• 141-52-6 sodium ethanolate 
• 28495-21-8 1,5-dimethoxy-3-methyl-1,4-cyclohexadiene 
• 56157-27-8 methyl 6-methyl-2,4-cyclohexanedione-1-carboxylate 
• 92730-95-5 3-Aethoxy-5-methyl-4,4-diaethoxycarbonyl-Δ²-cyclohexenon-(1) 
• 504-15-4 orcinol 
• 34673-07-9 6-methyl-2,4-dioxo-cyclohexanecarboxylic acid ethyl ester 
• 3246-27-3 tert-butyl crotonate 
• 67-64-1 acetone 
• 10544-63-5 ethyl crotonate 
• 623-43-8 methyl crotonate 
• 1253281-17-2 2-hydroxy-6-methyl-4-oxo-cyclohex-1-enecarboxylic acid methyl ester 
• 3261-01-6 1-ethoxy-hex-4-en-1-yn-3-ol 

Downstream Products

• 100883-33-8 2-benzyl-5-methylcyclohexane-1,3-dione 
• 56576-02-4 2-allyl-5-methylcyclohexa-1,3-dione 
• 13365-08-7 2,4-dibromo-1,5-dimethoxy-3-methylbenzene 
• 72302-57-9 5-Methyl-2-phenylsulfanyl-cyclohexane-1,3-dione 
• 125812-06-8 N-(5,6,7,8-tetrahydro-7-methyl-2,5-dioxo-2H-1-benzopyran-3-yl)benzamide 
• 95682-12-5 3-Methoxymethoxy-5-methyl-cyclohex-2-enone 
• 77147-73-0 5-Methyl-3-(2-nitro-phenylamino)-cyclohex-2-enone 
• 57545-43-4 2,2-diallyl-5-methyl-cyclohexane-1,3-dione 
• 205518-87-2 1-benzoyl-3-benzoylamino-1,5-dihydro-2H-pyrrol-2-one 
• 678188-53-9 2-(2'-methoxy-6'-methylbenzoyl)-5-methyl-1,3-cyclohexanedione 

Relevant articles and documents

A substituted anilino enaminone acts as a novel positive allosteric modulator of GABAA receptors in the mouse brain

A small library of anilino enaminones was analyzed for potential anticonvulsant agents. We examined the effects of three anilino enaminones on neuronal activity of output neurons, mitral cells (MC), in an olfactory bulb brain slice preparation using whole

Consecutive Michael-claisen process for cyclohexane-1,3-dione derivative (CDD) synthesis from unsubstituted and substituted acetone 1

A long-existing problem of cyclohexane-1,3-dione derivatives (CDD) synthesis from unreactive acetone through consecutive Michael-Claisen process was solved under this study. The practical applicability of this process was tested for a novel compound ethyl 3-(2,4-dioxocyclohexyl)propanoate for up to 20-gram scale. Furthermore, the scope of different acetone derivatives was investigated and resulted with similar consecutive Michael-Claisen process for CDD synthesis. The reaction exhibited remarkable regioselectivity in Michael addition followed by Claisen cyclization. In this process high substrate selectivity was observed for CDD synthesis following consecutive double-Michael-Claisen and Michael-Claisen cyclization. Georg Thieme Verlag Stuttgart · New York.

Synthesis of chiloglottones - Semiochemicals from sexually deceptive orchids and their pollinators

A five-step synthesis of monoalkyl- and 2,5-dialkyl-1,3-cyclohexanediones (1) is described via a sequence involving sequential Birch reductions and alkylations from the readily accessible and inexpensive starting material, 3,5-dimethoxybenzoic acid. Two approaches were considered in which alkylation at C-2 occurs either prior or subsequent to the proposed reduction. The successful route, in which Birch reduction of a 3-alkyl resorcinol derivative (3) precedes alkylation was applied in the synthesis of chiloglottone 1 (1dc), in 58% overall yield. Chiloglottone 1 is a member of a new class of natural products, representing a known sex pheromone of the thynnine wasp Neozeleboria cryptoides and pollinator attractant in the Australian sexually deceptive orchid genus Chiloglottis. The synthetic homologues were assessed for their biological activity via electroantennographic detection.