3-Tert-butyl-7-oxabicyclo[4.1.0]heptane

Base Information

• Chemical Name: 3-Tert-butyl-7-oxabicyclo[4.1.0]heptane
• CAS No.: 15536-71-7
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2932999099
• European Community (EC) Number: 605-005-7
• DSSTox Substance ID: DTXSID50503096
• Mol file: 15536-71-7.mol

Synonyms:3-tert-butyl-7-oxabicyclo[4.1.0]heptane;15536-71-7;7-Oxabicyclo[4.1.0]heptane, 3-(1,1-dimethylethyl)-;3-TERT-BUTYL-7-OXABICYCLO(4.1.0)HEPTANE;SCHEMBL13410559;4-t-butyl-1,2-epoxycyclohexane;DTXSID50503096;AKOS000140697;CS-0251643;EN300-55510

Chemical Property of 3-Tert-butyl-7-oxabicyclo[4.1.0]heptane

Chemical Property:

• Refractive Index: 1.472
• Boiling Point: 184.0±8.0 °C(Predicted)
• PSA: 12.53000
• Density: 0.949±0.06 g/cm3(Predicted)
• LogP: 2.60000
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99.9% ^*data from raw suppliers

3-tert-butyl-7-oxabicyclo[4.1.0]heptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC2C(C1)O2

Technology Process of 3-Tert-butyl-7-oxabicyclo[4.1.0]heptane

There total 8 articles about 3-Tert-butyl-7-oxabicyclo[4.1.0]heptane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

4-tert-butylcylohexene (2228-98-0) → 3-tert-butyl-7-oxabicyclo<4.1.0>heptane (15536-71-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

4-tert-butylcylohexene (2228-98-0) → 3-t-butyl-7-oxabicyclo[4.1.0]heptane (14753-39-0,14753-40-3,15536-71-7,35650-41-0,71961-99-4,71962-00-0,71962-01-1,71962-04-4,72274-34-1) + 3-t-butyl-7-oxabicyclo[4.1.0]heptane (14753-39-0,14753-40-3,15536-71-7,35650-41-0,71961-99-4,71962-00-0,71962-01-1,71962-04-4,72274-34-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; Overall yield = 65 %;

DOI:10.3998/ark.5550190.p008.671

Reference yield:

4-tert-butylcylohexene (2228-98-0) → 3-t-butyl-7-oxabicyclo[4.1.0]heptane (14753-39-0,14753-40-3,15536-71-7,35650-41-0,71961-99-4,71962-00-0,71962-01-1,71962-04-4,72274-34-1) + 3-t-butyl-7-oxabicyclo[4.1.0]heptane (14753-39-0,14753-40-3,15536-71-7,35650-41-0,71961-99-4,71962-00-0,71962-01-1,71962-04-4,72274-34-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 - 20 ℃; Overall yield = 65 %;

DOI:10.3998/ark.5550190.p008.671

upstream raw materials:

4-tert-butylcylohexene

trans-1,2-Epoxy-4-tert-butylcyclohexane

r-5-tert-Butyl-t-1-(trimethylsilyloxy)-c-2-(trimethylsilyl)cyclohexane

r-5-tert-Butyl-c-2-(trimethylsilyl)cyclohexan-t-ol

Downstream raw materials:

4-tert-butylcylohexene

(1R,2R,4S)-(-)-tert-Butylcyclohexane-1,2-diol

(1S,2S,4R)-(+)-tert-Butylcyclohexane-1,2-diol

cis-4-tert-Butyl-trans-2-methyl-cyclohexyl-p-toluolsulfonat