3178-22-1

Basic information

• Product Name: TERT-BUTYLCYCLOHEXANE
• Synonyms: TERT-BUTYLCYCLOHEXANE;(1,1-dimethylethyl)-cyclohexan;1-tert-Butylcyclohexane;2-cyclohexyl-2-methylpropane;butylcyclohexane(non-specificname);Cyclohexane, (1,1-dimethylethyl)-;Cyclohexane, tert-butyl-;cyclohexane,(1,1-dimethylethyl)-
• CAS NO: 3178-22-1
• Molecular Formula: C₁₀H₂₀
• Molecular Weight: 140.27
• EINECS: 221-652-4
• Mol File: 3178-22-1.mol
• Article Data: 49

Chemical Properties

• Melting Point: -41 °C
• Boiling Point: 167 °C(lit.)
• Flash Point: 108 °F
• Appearance: Clear colourless liquid
• Density: 0.831 g/mL at 25 °C(lit.)
• Vapor Pressure: 5 mm Hg ( 37.7 °C)
• Refractive Index: n20/D 1.447(lit.)
• Storage Temp.: Flammables area
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: TERT-BUTYLCYCLOHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYLCYCLOHEXANE(3178-22-1)
• EPA Substance Registry System: TERT-BUTYLCYCLOHEXANE(3178-22-1)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: UN 3295 3/PG 3
• WGK Germany: 3
• RTECS: GU9384375
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 3178-22-1(Hazardous Substances Data)

Usage

Chemical Properties

Clear colourless liquid

Uses

Used as pharmaceutical intermediate.

Synthesis Reference(s)

The Journal of Organic Chemistry, 50, p. 1927, 1985 DOI: 10.1021/jo00211a028Tetrahedron Letters, 32, p. 1691, 1991 DOI: 10.1016/S0040-4039(00)74305-X

InChI:InChI=1/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

Upstream product

• 65851-13-0 8-tert-Butyl-1,4-dithia-spiro[4.5]decane 
• 1900-69-2 trans-4-tert-butylcyclohexyl acetate 
• 10411-92-4 cis-4-tert-butylcyclohexyl acetate 
• 41780-53-4 4-tert-butylcyclohexanone tosylhydrazone 
• 907-04-0 bis-(trans-4-tert-butyl-cyclohexanecarbonyl)-peroxide 
• 115663-65-5 1,1-bis(ethylthio)-4-tert-butylcyclohexane 
• 118817-77-9 9-(1,1-dimethylethyl)-1,5-dithiaspiro[5.5]undecane 
• 89891-13-4 3-tert-butyl-1,6-diiodohexane 
• 14753-40-3 trans-1,2-Epoxy-4-tert-butylcyclohexane 
• 14753-39-0 cis-1,2-Epoxy-4-tert-Butylcyclohexane 
• 75415-80-4 4-tert-butylcyclohexanone (2,4,6-triisopropylbenzenesulfonyl)hydrazone 
• 134340-41-3 (4-tert-Butyl-cyclohexylidene)-((2S,3S)-2,3-diphenyl-aziridin-1-yl)-amine 
• 3419-66-7 1-tert-butyl-1-cyclohexene 
• 98-54-4 para-tert-butylphenol 

Downstream Products

• 99850-90-5 1-tert-butyl-cyclohexyl hydroperoxide 
• 132867-98-2 1H-nonadecafluoro-t-butylcyclohexane 
• 84808-64-0 perfluoro-t-butylcyclohexane 
• 90304-26-0 1-t-butyl-1-fluorocyclohexane 
• 21862-63-5 trans-4-tert-butylcyclohexanol 
• 936-99-2 3-tert-butylcyclohexanone 
• 10488-10-5 cis-3-tert-butylcyclohexanone 
• 98-53-3 4-tercbutyl-cyclohexanone 
• 20344-52-9 1-tert-butylcyclohexanol 
• 1728-46-7 2-tert-butylcyclohexanone 
• 16201-66-4 trans-3-tert-butylcyclohexanone 
• 462-06-6 fluorobenzene cation 
• 462-06-6 fluorobenzene 
• 1678-91-7 ethyl-cyclohexane 

Relevant articles and documents

Aromatic compound hydrogenation and hydrodeoxygenation method and application thereof

The invention belongs to the technical field of medicines, and discloses an aromatic compound hydrogenation and hydrodeoxygenation method under mild conditions and application of the method in hydrogenation and hydrodeoxygenation reactions of the aromatic compounds and related mixtures. Specifically, the method comprises the following steps: contacting the aromatic compound or a mixture containing the aromatic compound with a catalyst and hydrogen with proper pressure in a solvent under a proper temperature condition, and reacting the hydrogen, the solvent and the aromatic compound under the action of the catalyst to obtain a corresponding hydrogenation product or/and a hydrodeoxygenation product without an oxygen-containing substituent group. The invention also discloses specific implementation conditions of the method and an aromatic compound structure type applicable to the method. The hydrogenation and hydrodeoxygenation reaction method used in the invention has the advantages of mild reaction conditions, high hydrodeoxygenation efficiency, wide substrate applicability, convenient post-treatment, and good laboratory and industrial application prospects.

Iterative Preparation of Platinum Nanoparticles in an Amphiphilic Polymer Matrix: Regulation of Catalytic Activity in Hydrogenation

We demonstrate that iteration of the seeded preparation of platinum nanoparticles dispersed in an amphiphilic polystyrene-poly(ethylene glycol) resin (ARP-Pt) regulates their catalytic activity in the hydrogenation of aromatic compounds in water. The catalytic activity of the fifth generation of ARP-Pt [G5] prepared through four iterations of the seeded preparation was far superior to that of the initial ARP-Pt [G1] in the hydrogenation of aromatic compounds in water.

Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage

Cationic bis(phosphine)iridium complexes are found to catalyze the cleavage of cyclohexyl methyl ethers by triethylsilane. Selectivity for C-O cleavage is determined by the relative rates of SN2 demethylation versus SN1 demethoxylation, with the axial or equatorial disposition of the silyloxonium ion intermediate acting as an important contributing factor. Modulation of the electron-donor power of the supporting phosphine ligands enables a switch in selectivity from demethylation of equatorial methyl ethers to 2° demethoxylation. Applications of these accessible catalysts to the selective demethoxylation of the 3α-methoxy group of cholic acid derivatives is demonstrated, including a switch in observed selectivity controlled by 7α-substitution. The resting state of the catalyst has been characterized for two phosphine derivatives, demonstrating that the observed switch in C-O cleavage selectivity likely results from electronic factors rather than from a major perturbation of the catalyst structure.