7-Oxabicyclo[4.1.0]heptane-3-carbonitrile

Base Information

Chemical Name:7-Oxabicyclo[4.1.0]heptane-3-carbonitrile
CAS No.:141-40-2
Molecular Formula:C₇H₉NO
Molecular Weight:123.155
Hs Code.:2932999099
UNII:T31VB6C780
DSSTox Substance ID:DTXSID50930969
Nikkaji Number:J42.539G
Wikidata:Q27289598
Mol file:141-40-2.mol

Synonyms:4-Cyanocyclohexene oxide;7-oxabicyclo[4.1.0]heptane-3-carbonitrile;141-40-2;3,4-Epoxycyanocyclohexane;3,4-Epoxycyclohexanecarbonitrile;Cyclohexanecarbonitrile, 3,4-epoxy-;7-Oxabicyclo(4.1.0)heptane-3-carbonitrile;T31VB6C780;3,4-Epoxycyclohexane-carbonitrile;UNII-T31VB6C780;AI3-26364;SCHEMBL10719783;DTXSID50930969;J42.539G;7-OXABICYCLO(4.1.0)HEPTANE-4-CARBONITRILE;Q27289598

Suppliers and Price of 7-Oxabicyclo[4.1.0]heptane-3-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of 7-Oxabicyclo[4.1.0]heptane-3-carbonitrile

Chemical Property:

Vapor Pressure:0.0216mmHg at 25°C
Refractive Index:1.5380 (estimate)
Boiling Point:250.5°C at 760 mmHg
Flash Point:104.4°C
PSA：36.32000
Density:1.13g/cm³
LogP:1.07748
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:123.068413911
Heavy Atom Count:9
Complexity:169

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2C(O2)CC1C#N

Technology Process of 7-Oxabicyclo[4.1.0]heptane-3-carbonitrile

There total 6 articles about 7-Oxabicyclo[4.1.0]heptane-3-carbonitrile 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: 96.0%

: 3-cyclohexene N,N-dimethylhydrazone

: 141-40-2
3,4-Epoxy-cyclohexan-carbonitril

Guidance literature:: With HOF* CH₃CN; at 0 ℃;
DOI:10.1016/j.tetlet.2006.10.014

Reference yield:

: 100-50-5,61746-36-9
3-Cyclohexene-1-carboxaldehyde

: 141-40-2
3,4-Epoxy-cyclohexan-carbonitril

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 1 h

2: 96 percent / HOF*CH₃CN / 0 °C

With HOF* CH₃CN; In ethanol;
DOI:10.1016/j.tetlet.2006.10.014