Ethyl [(2-oxocyclohexyl)sulfanyl]acetate

Base Information

Chemical Name:Ethyl [(2-oxocyclohexyl)sulfanyl]acetate
CAS No.:139005-41-7
Molecular Formula:C10H16O3S
Molecular Weight:216.301
Hs Code.:
DSSTox Substance ID:DTXSID40577781
Mol file:139005-41-7.mol

Synonyms:139005-41-7;Ethyl [(2-oxocyclohexyl)sulfanyl]acetate;SCHEMBL8324479;DTXSID40577781;AKOS008951622

Suppliers and Price of Ethyl [(2-oxocyclohexyl)sulfanyl]acetate

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 0 raw suppliers

Chemical Property of Ethyl [(2-oxocyclohexyl)sulfanyl]acetate

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:216.08201554
Heavy Atom Count:14
Complexity:215

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CSC1CCCCC1=O

Technology Process of Ethyl [(2-oxocyclohexyl)sulfanyl]acetate

There total 4 articles about Ethyl [(2-oxocyclohexyl)sulfanyl]acetate 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: 80.0%

: 109314-65-0
1-nitrocyclohexene oxide

: 623-51-8
ethyl 2-sulfanylacetate

: 139005-41-7
2-<(carboethoxy)methylthio>cyclohexanone

Guidance literature:: With sodium ethanolate; In ethanol; for 0.0833333h; Ambient temperature;
DOI:10.1016/S0040-4020(01)81002-4

Reference yield: 64.0%

: 64-17-5
ethanol

: 199456-73-0
2-((2-oxocyclohexyl)thio)acetic acid

: 139005-41-7
2-<(carboethoxy)methylthio>cyclohexanone

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c00911

Reference yield:

: 1056477-06-5,822-85-5
2-bromocyclohexanone

: 139005-41-7
2-<(carboethoxy)methylthio>cyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / water; methanol / 4 h / 0 - 25 °C / Inert atmosphere

2: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 24 h / 25 °C / Inert atmosphere

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In methanol; dichloromethane; water;
DOI:10.1021/acs.orglett.1c00911