7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-

Base Information

• Chemical Name: 7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-
• CAS No.: 59627-41-7
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• DSSTox Substance ID: DTXSID30483428
• Nikkaji Number: J2.477.300K

Synonyms:59627-41-7;7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-;DTXSID30483428

Chemical Property of 7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC12CCCCC1O2

Technology Process of 7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-

There total 6 articles about 7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)- 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%

1-(1-propynyl)cyclohexene (1655-05-6) → 1-propynyl-7-oxabicyclo<4.1.0>heptane (59627-41-7,210050-52-5)

Guidance literature:

With Oxone; ethylenediaminetetraacetic acid; tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; acetone; In water; acetonitrile; for 1.5h;

DOI:10.1021/jo980604+

Reference yield:

1-ethenylcyclohexene (931-49-7) → 1-propynyl-7-oxabicyclo<4.1.0>heptane (59627-41-7,210050-52-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) MeLi*LiBr / 1.) CH₂Cl₂, r. t., 1h 2.) 12 h r. t.

2: 58 percent / m-chloroperbenzoic acid / CH₂Cl₂ / a.) 0 deg C, 15 min b.) r. t., 1.5 h

With methyllithium lithium bromide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1016/S0040-4020(01)96911-X

Reference yield:

1-(1-propynyl)cyclohexene (1655-05-6) → 1-propynyl-7-oxabicyclo[4.1.0]heptane (59627-41-7,210050-52-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Inert atmosphere;

DOI:10.1021/jo900987w

upstream raw materials:

1-(1-propynyl)cyclohexene

1-ethenylcyclohexene

1-Ethynylcyclohexan-1-ol

2-ethynyl-1-cyclohexanol

Downstream raw materials:

(S^*,S^*)-2-(2,3-dimethylbutenylidene)-1-cyclohexanol

(R^*,S^*)-2-(2,3-dimethylbutenylidene)-1-cyclohexanol

(S^*,S^*)-2-(2-methylhexenylidene)-1-cyclohexanol

(S^*,S^*)-2-(2-phenylpropenylidene)-1-cyclohexanol

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