rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate

Base Information Edit

Chemical Name:rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate
CAS No.:191471-72-4
Molecular Formula:C8H10O3S
Molecular Weight:
Hs Code.:
European Community (EC) Number:606-245-5
DSSTox Substance ID:DTXSID901163246
Nikkaji Number:J1.866.872F
Mol file:191471-72-4.mol

Synonyms:DTXSID901163246;rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate;(1R,5S,6S)-4-Oxo-2-thiabicyclo[3.1.0]hexane-6beta-carboxylic acid ethyl ester;191471-72-4

Suppliers and Price of rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate

Supply Marketing:Edit

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate Edit

Chemical Property:

Vapor Pressure:0.003mmHg at 25°C
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:186.03506535
Heavy Atom Count:12
Complexity:239

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1C2C1SCC2=O
Isomeric SMILES:CCOC(=O)[C@@H]1[C@@H]2[C@H]1SCC2=O

Technology Process of rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate

There total 6 articles about rel-Ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-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: 85.0%

: ethyl (4S,6S)-4-hydroxy-2-thiabicyclo[3.1.0]hexane-6-carboxylate

: 577773-32-1,191471-72-4
ethyl (1R,5S,6S)-4-oxo-2-thiabicyclo[3.1.0]hexane-6-carboxylate

Guidance literature:: With dimethyl sulfoxide; trifluoroacetic anhydride; In dichloromethane; at -70 - -66 ℃; for 0.833333h;

ethyl (4S,6S)-4-hydroxy-2-thiabicyclo[3.1.0]hexane-6-carboxylate; In dichloromethane; at -60 ℃; for 2h;

With triethylamine; In dichloromethane; at -50 ℃; for 1.58333h;

Reference yield: 79.0%

: (±)-(1RS,5SR,6SR)-2-thia-4-hydroxybicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester

: 191471-72-4
(+/-)-ethyl 4-oxo-2-thiabicyclo<3.1.0>hex-3-ene-6-carboxylate

Guidance literature:: With dmap; 2-azatricyclo[3.3.1.1^3,7]dec-2-yloxidanyl; copper(l) chloride; In acetonitrile; at 20 ℃; for 1h; chemoselective reaction;
DOI:10.1021/acs.orglett.8b02528