ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate

Base Information Edit

Chemical Name:ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate
CAS No.:311341-94-3
Molecular Formula:C₉H₁₃NO₂S
Molecular Weight:199.274
Hs Code.:2930909090
DSSTox Substance ID:DTXSID10369993
Nikkaji Number:J1.373.682K
Mol file:311341-94-3.mol

Synonyms:311341-94-3;ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate;ethyl (2S,1R)-2-isothiocyanatocyclopentanecarboxylate;ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE, 97;DTXSID10369993;AKOS024286357;2beta-Isothiocyanatocyclopentane-1beta-carboxylic acid ethyl ester

Suppliers and Price of ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate

Supply Marketing:Edit

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

American Custom Chemicals Corporation
ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE 95.00%
5MG
$ 499.07

Total 3 raw suppliers

Chemical Property of ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate Edit

Chemical Property:

Vapor Pressure:0.00186mmHg at 25°C
Refractive Index:1.5270 (estimate)
Boiling Point:292.2°C at 760 mmHg
Flash Point:130.5°C
PSA：70.75000
Density:1.2g/cm³
LogP:1.82100
Storage Temp.:Refrigerator (+4°C)
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:199.06669983
Heavy Atom Count:13
Complexity:236

Purity/Quality:

95% ^*data from raw suppliers

ETHYL CIS-2-ISOTHIOCYANATO-1-CYCLOPENTANECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCCC1N=C=S
Isomeric SMILES:CCOC(=O)[C@@H]1CCC[C@@H]1N=C=S

Technology Process of ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate

There total 4 articles about ethyl (1R,2S)-2-isothiocyanatocyclopentane-1-carboxylate 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: 65.0%