4255-62-3

Basic information

• Product Name: 4 4-DIMETHYLCYCLOHEXANONE 97
• Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid;4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate;4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate;BAS 08748190;BB_SC-5119;4 4-DIMETHYLCYCLOHEXANONE 97;Cyclohexanone, 4,4-dimethyl-;4,4-dimethylcyclohexan-1-one
• CAS NO: 4255-62-3
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.2
• EINECS: 1806241-263-5
• Mol File: 4255-62-3.mol
• Article Data: 75

Chemical Properties

• Melting Point: 41-45 °C
• Boiling Point: 105-106℃ (80 Torr)
• Flash Point: 137 °F
• Appearance: /
• Density: 0.892±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 1.457mmHg at 25°C
• Refractive Index: 1.46442 (22.45℃)
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 4 4-DIMETHYLCYCLOHEXANONE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4 4-DIMETHYLCYCLOHEXANONE 97(4255-62-3)
• EPA Substance Registry System: 4 4-DIMETHYLCYCLOHEXANONE 97(4255-62-3)

Safety Data

• Hazard Codes: F,Xi
• Statements: 11-36
• Safety Statements: 16-26-24/25
• RIDADR: UN 1325 4.1/PG 2
• WGK Germany: 2
• HazardClass: 4.1
• PackingGroup: Ⅱ
• Hazardous Substances Data: 4255-62-3(Hazardous Substances Data)

Usage

Chemical Properties

Colorless crystal

Uses

4,4-Dimethylcyclohexanone is used as a pharmaceutical intermediate.

InChI:InChI=1/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3

Upstream product

• 55134-05-9 4,4-dimethyl-heptanedioic acid diethyl ester 
• 932-01-4 4,4-dimethyl-cyclohexanol 
• 280-57-9 1,4-diaza-bicyclo[2.2.2]octane 
• 1073-13-8 4,4-dimethylcyclohexenone 
• 108-88-3 toluene 
• 1112-35-2 3,3-dimethyl-penta-1,4-diene 
• 256379-28-9 N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine 
• 53120-74-4 3,3-dimethylpent-1,5-diol 
• 62496-53-1 1,5-dichloro-3,3-dimethyl-pentane 
• 28118-37-8 4,4-dimethylheptanedinitrile 
• 4839-46-7 3,3-Dimethylglutaric acid 
• 5020-09-7 4,4-dimethyl-2-cyclohexen-1-ol 
• 590-66-9 1,1-dimethylcyclohexane 
• 7722-84-1 dihydrogen peroxide 

Downstream Products

• 97115-86-1 2,2-dibenzyl-4,4-dimethyl-cyclohexanone 
• 39858-62-3 cyano-(4,4-dimethyl-cyclohexyliden)-acetic acid ethyl ester 
• 5773-37-5 4,4-dimethyl-1-cyclohexene acetate 
• 62172-98-9 2-chloro-4,4-dimethyl-cyclohexanone 
• 40441-31-4 cis-2,6-dibromo-4,-dimethylcyclohexanone 
• 75620-63-2 2-bromo-4,4-dimethylcyclohexanone 
• 563-20-2 5,5-dimethylcyclohexane-1,2-dione 
• 77172-49-7 4,4-dimethylcyclohexanone enol acetate 
• 27036-64-2 1-tert.-Butyl-4,4-dimethylcyclohexanol 
• 64416-07-5 (4,4-dimethylcyclohexylidene)methyl methyl ether 
• 3419-72-5 4,4-dimethyl-2,3,4,5-tetrahydro-1,1'-biphenyl 
• 100794-17-0 1,1-Dimethyl-4-phenyl-cyclohexan 
• 36613-85-1 2-(4,4-Dimethyl-cyclohexyl)-propionic acid ethyl ester 
• 68483-62-5 1-ethynyl-4,4-dimethylcyclohexan-1-ol 

Relevant articles and documents

THE MECHANISM OF PHOTOREDUCTION OF CYCLOHEXENONES TO CYCLOHEXANONES IN ISOPROPYL ALCOHOL

The photoreduction of cyclohexenones in 2-propanol is initiated by H-abstraction at Cβ of the enone 3?,?* state, as shown by the reaction course in deuterated solvents.

Iron-catalyzed oxidative functionalization of C(sp3)-H bonds under bromide-synergized mild conditions

An efficient oxidation and functionalization of C-H bonds with an inorganic-ligand supported iron catalyst and hydrogen peroxide to prepare the corresponding ketones was achieved using the bromide ion as a promoter. Preliminary mechanistic investigations indicated that the bromide ion can bind to FeMo6 to form a supramolecular species (FeMo6·2Br), which can effectively catalyze the reaction.

Catalyst-controlled aliphatic C—H oxidations

The invention provides simple small molecule, non-heme iron catalyst systems with broad substrate scope that can predictably enhance or overturn a substrate's inherent reactivity preference for sp3-hybridized C—H bond oxidation. The invention also provides methods for selective aliphatic C—H bond oxidation. Furthermore, a structure-based catalyst reactivity model is disclosed that quantitatively correlates the innate physical properties of the substrate to the site-selectivities observed as a function of the catalyst. The catalyst systems can be used in combination with oxidants such as hydrogen peroxide to effect highly selective oxidations of unactivated sp3 C—H bonds over a broad range of substrates.