15536-71-7

Basic information

• Product Name: 3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE
• Synonyms: 3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE
• CAS NO: 15536-71-7
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• Mol File: 15536-71-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 184.0±8.0 °C(Predicted)
• Appearance: /
• Density: 0.949±0.06 g/cm3(Predicted)
• Refractive Index: 1.472
• CAS DataBase Reference: 3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE(15536-71-7)
• EPA Substance Registry System: 3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE(15536-71-7)

Safety Data

• Hazardous Substances Data: 15536-71-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H18O/c1-10(2,3)7-4-5-8-9(6-7)11-8/h7-9H,4-6H2,1-3H3

Upstream product

• 2228-98-0 4-tert-butylcylohexene 
• 14753-40-3 trans-1,2-Epoxy-4-tert-butylcyclohexane 
• 111324-97-1 r-5-tert-Butyl-t-1-(trimethylsilyloxy)-c-2-(trimethylsilyl)cyclohexane 
• 66228-04-4 r-5-tert-Butyl-c-2-(trimethylsilyl)cyclohexan-t-ol 

Downstream Products

• 86509-69-5 tert-Butylperoxy-oxo-acetic acid (1S,2S,5R)-5-tert-butyl-2-methyl-cyclohexyl ester 
• 66820-12-0 (1R,3S)-1-tert-Butyl-3,5-dimethyl-cyclohexane 
• 86509-66-2 tert-Butylperoxy-oxo-acetic acid (1S,2S,4R)-4-tert-butyl-2-methyl-cyclohexyl ester 
• 7076-92-8 cis-4-tert-Butyl-trans-2-methyl-cyclohexyl-p-toluolsulfonat 
• 2228-98-0 4-tert-butylcylohexene 
• 71962-03-3 (1R,2R,4S)-(-)-tert-Butylcyclohexane-1,2-diol 
• 71962-02-2 (1S,2S,4R)-(+)-tert-Butylcyclohexane-1,2-diol 
• 31927-14-7 t-5-t-butyl-r-3-methylcyclohexene 
• 27003-39-0 r-1-t-butyl-t-3-methylcyclohexane 
• 15822-50-1 5-t-butyl-1-methylcyclohexene 
• 142744-01-2 r-4-tert-Butyl-t-2-(trimethylsilyl)cyclohex-c-yl 3,5-dinitrobenzoate 
• 142744-00-1 r-4-tert-Butyl-t-2-(trimethylsilyl)cyclohex-c-yl p-nitrobenzoate 
• 1138-51-8 di-tert-butyl-3,5 cyclohexanone-trans 
• 118787-34-1 (4aS,23aS)-2-tert-Butyl-octadecahydro-5,8,11,14,17,20,23-heptaoxa-benzocyclohenicosene 

Relevant articles and documents

Exploration of trans-2-(azaarylsulfanyl)-cyclohexanols as potential pH-triggered conformational switches

A series of trans-2-(azaarylsulfanyl)-cyclohexanols, structurally similar to previously studied trans-2-aminocylohexanols, have been synthesized and explored as conformational pH triggers. 1H NMR spectroscopy was used to estimate the position of the chair-chair conformational equilibrium and its acid-induced shift towards the conformer with the azaarylsulfanyl and hydroxy groups in equatorial positions due to an intramolecular hydrogen bond and electrostatic interactions. Such acid-induced transition may be used to control the geometry-dependent molecular properties. The 1H NMR titration curves were used for estimation of the pKa values of protonated compounds that varied from 2.8 to 4.3 (in d4-methanol) depending on the structure of the azaarylsulfanyl group.

Convenient synthesis of 1,3-dithiolane-2-thiones: Cyclic trithiocarbonates as conformational locks

A series of novel 1,3-dithiolane-2-thiones, or cyclic trithiocarbonates, has been prepared by a new simple procedure: a treatment of the corresponding epoxides with the commercially available potassium ethyl xanthogenate, KSC(S)OEt. The stereochemistry of the products was determined by 1H NMR and in some cases by single-crystal X-ray data. Cyclohexane-based 1,3- dithiolane-2-thiones revealed a trans-fusion of the carbo- and hetero-cycles. The products obtained from the mono-substituted cyclohexene oxides demonstrated an axial position of the substituents. Thus the epoxide transformation into trithiocarbonate can be used as a method for locking cyclic compounds in unstable conformations.ARKAT-USA, Inc.