760-97-4

Basic information

• Product Name: 3,6-dimethylhept-5-en-2-one
• Synonyms: 3,6-dimethylhept-5-en-2-one;3,6-Dimethyl-5-hepten-2-one;5-Hepten-2-one, 3,6-dimethyl-;Einecs 212-086-9
• CAS NO: 760-97-4
• Molecular Formula: C₉H₁₆O
• Molecular Weight: 140.22274
• EINECS: 212-086-9
• Mol File: 760-97-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 189.1°C at 760 mmHg
• Flash Point: 59.3°C
• Appearance: /
• Density: 0.834g/cm³
• Vapor Pressure: 0.58mmHg at 25°C
• Refractive Index: 1.432
• CAS DataBase Reference: 3,6-dimethylhept-5-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-dimethylhept-5-en-2-one(760-97-4)
• EPA Substance Registry System: 3,6-dimethylhept-5-en-2-one(760-97-4)

Safety Data

• Hazardous Substances Data: 760-97-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H16O/c1-7(2)5-6-8(3)9(4)10/h5,8H,6H2,1-4H3

Upstream product

• 124838-83-1 ethyl 2-acetyl-2,5-dimethylhex-4-enoate 
• 503-60-6 3,3-dimethyl-allyl chloride 
• 556-82-1 3-methyl-2-buten-1-ol 
• 609-14-3 2-acetylpropanoic acid ethyl ester 
• 870-63-3 prenyl bromide 
• 115-18-4 2-methyl-3-buten-2-ol 

Downstream Products

• 63024-79-3 3,6-dimethyl-hept-5-en-2-ol 
• 77851-07-1 ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate 
• 63270-15-5 acetic acid-(1,2,5-trimethyl-hex-4-enyl ester) 
• 67227-18-3 methyl-(1,2,5-trimethyl-hex-4-enyl)-amine 

Relevant articles and documents

PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE

A process for manufacturing a substituted cyclohexanecarbonitrile said process comprising the following steps: - reacting the corresponding substituted cyclohexanecarboxylic acid with thionyl chloride to make the corresponding acyl chloride; and simultaneously or subsequently - reacting the chloride with sulfonamide in sulfolane as solvent to make the substituted cyclohexanecarbonitrile.

Prenylated β-diketones, two new additions to the family of biologically active Hypericum perforatum L. (Hypericaceae) secondary metabolites

Two novel β-diketones, 2,6,9-trimethyl-8-decene-3,5-dione (A) and 3,7,10-trimethyl-9-undecene-4,6-dione (B), were identified from the renowned medicinal plant Hypericum perforatum L. The structures of β-diketones A and B were corroborated by syntheses (4 steps starting from methyl acetoacetate, overall yields 30% and 23%, respectively). In solution, these β-diketones predominantly exist as two rapidly interconverting β-keto-enol tautomers. The structures of A and B show some common fragments with the molecules of hyperforin and adhyperforin, respectively, the acknowledged multi-target secondary metabolites from St. John's wort. It is therefore not surprising that A displayed a noteworthy biological activity profile as well (including brine shrimp toxicity, antinociceptive, antidepressant and acetylcholinesterase inhibitory activity). β-Diketone A manifested the most outstanding potency as an acetylcholinesterase inhibitor with IC50 value of 1.51 μM pointing again to the β-keto-enol moiety as a promising lead structure for the development of drugs that could lessen symptoms of Alzheimer's disease (such as dementia, depression and pain).

UNDECAPRENYL DIPHOSPHATE SYNTHASE REACTION WITH ARTIFICAL SUBSTRATE HOMOLOGUES ------- NOVEL BEHAVIOR IN THE TERMINATION OF PRENYL CHAIN ELONGATION

(E)-3-Methyl-3-pentenyl diphosphate acted as an artifical homoallylic substrate in the reaction with several allylic diphosphates catalyzed by undecaprenyl diphosphate synthase of Bacillus subtilis.The synthase reaction with the artificial substrate proceeded in the same stereochemical manner as that with the natural homoallylic substrate, isopentenyl diphosphate, but it had a full stop at the stage where a single condensation of the C6-homologue with an allylic primer is completed to form a chiral prenyl diphosphate with an extra methyl group at the 4-position.Allylic diphosphates that each have an extra methyl group at the 4-position were not accepted as substrates for this enzyme even when isopentenyl diphosphate was the homoallylic substrate.