6-Methyl-7-oxabicyclo[4.1.0]heptan-2-ol

Base Information

• Chemical Name: 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-ol
• CAS No.: 221635-45-6
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• DSSTox Substance ID: DTXSID90413842
• Nikkaji Number: J714.557H
• Mol file: 221635-45-6.mol

Synonyms:5233-97-6;6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol;DTXSID90413842

Chemical Property of 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-ol

Chemical Property:

• PSA: 32.76000
• LogP: 0.68870
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC(C1O2)O

Technology Process of 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-ol

There total 2 articles about 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-ol 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:

3-methylcyclohex-2-en-1-ol (21378-21-2,54423-21-1) → 3-methylcyclohexen-2-one (1193-18-6) + 2,3-epoxy-3-methylcyclohexanol (221635-45-6)

Guidance literature:

With Oxone; edetate disodium; sodium hydrogencarbonate; acetone; In water; acetonitrile; Ambient temperature; pH 7.0-7.5, other reagents: various ketones/Na₂*EDTA/Oxone/NaHCO₃, Na₂*EDTA/Oxone/NaHCO₃, m-chloroperbenzoic acid/NaHCO₃;

DOI:10.1021/jo9821978

Reference yield:

3-methylcyclohex-2-en-1-ol (21378-21-2,54423-21-1) → 3-methylcyclohexen-2-one (1193-18-6) + 1-methylcyclohex-2-en-1-ol (23758-27-2) + 2,3-epoxy-3-methylcyclohexanol (221635-45-6) + C14H22O

Guidance literature:

With tert.-butylhydroperoxide; N,N-dimethylbutylamine; zeolite 4 A; titanium silicalite; In toluene; at 59.85 ℃; for 0.25h; Further Variations:; Reagents; time; Product distribution;

DOI:10.1006/jcat.1999.2582

upstream raw materials:

3-methylcyclohex-2-en-1-ol

Refernces

• 1、 Yang, Dan,Jiao, Guan-Sheng,Yip, Yiu-Chung,Wong, Man-Kin. "Diastereoselective epoxidation of cyclohexene derivatives by dioxiranes generated in situ. Importance of steric and field effects". . p. 1635 - 1639. Retrieved 2007/10/03.