O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate

Base Information

Chemical Name:O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate
CAS No.:71492-65-4
Molecular Formula:C₈H₁₃NOS
Molecular Weight:171.263
Hs Code.:
DSSTox Substance ID:DTXSID50507150
Mol file:71492-65-4.mol

Synonyms:71492-65-4;O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate;DTXSID50507150

Suppliers and Price of O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate

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 3 raw suppliers

Chemical Property of O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate

Chemical Property:

PSA：44.33000
LogP:1.48240
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:171.07178521
Heavy Atom Count:11
Complexity:171

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=S)N1C2C1CCCC2

Technology Process of O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate

There total 3 articles about O-methyl 7-azabicyclo[4.1.0]heptane-7-carbothioate 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: 9.0%

: 67-56-1
methanol

: 60211-89-4,63616-13-7,93424-19-2
trans-1-iodo-2-isothiocyanatocyclohexane

: 71492-65-4
methyl 7-azabicyclo<4.1.0>heptane-7-O-thiocarboxylate

: 77469-17-1
S-methyl-N-(trans-2-iodocyclohexyl)thiocarbamate

: 77469-16-0
O-methyl-N-(trans-2-iodocyclohexyl)thiocarbamate

Guidance literature:: With n-butyllithium; at 0 ℃; for 3h;
DOI:10.1039/P19810000033

Reference yield:

: 67-56-1
methanol

: 60211-89-4,63616-13-7,93424-19-2
trans-1-iodo-2-isothiocyanatocyclohexane

: 71492-65-4
methyl 7-azabicyclo<4.1.0>heptane-7-O-thiocarboxylate

: 77469-18-2
2-methoxy-cis-3a,4,5,6,7,7a-hexahydrobenzothiazole

Guidance literature:: With n-butyllithium; potassium carbonate; Yield given. Multistep reaction; 1.) 0 deg C, 3 h, 2.) acetone, 20 deg C, 44 h;
DOI:10.1039/P19810000033