Ethyl 2-mercaptocyclohex-1-enecarboxylate

Base Information

Chemical Name:Ethyl 2-mercaptocyclohex-1-enecarboxylate
CAS No.:54928-91-5
Molecular Formula:C9H14O2S
Molecular Weight:186.275
Hs Code.:
DSSTox Substance ID:DTXSID90593294
Wikidata:Q82487747

Synonyms:ethyl 2-mercaptocyclohex-1-enecarboxylate;54928-91-5;ethyl 2-sulfanylcyclohexene-1-carboxylate;ethyl 2-mercapto-1-cyclohexene-1-carboxylate;Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90%;SCHEMBL4133061;DTXSID90593294;VRFUJRRFOFCDOO-UHFFFAOYSA-N;ethyl2-mercaptocyclohex-1-enecarboxylate;DB-351406;Ethyl 2-sulfanylcyclohex-1-ene-1-carboxylate;2-mercaptocyclohex-1-enecarboxylic acid ethyl ester

Suppliers and Price of Ethyl 2-mercaptocyclohex-1-enecarboxylate

Supply Marketing:

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

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Chemical Property of Ethyl 2-mercaptocyclohex-1-enecarboxylate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:186.07145086
Heavy Atom Count:12
Complexity:209

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(CCCC1)S

Technology Process of Ethyl 2-mercaptocyclohex-1-enecarboxylate

There total 4 articles about Ethyl 2-mercaptocyclohex-1-enecarboxylate 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: 98.23%

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 54928-91-5
ethyl 2-mercaptocyclohex-1-ene-1-carboxylate

Guidance literature:: With hydrogenchloride; hydrogen sulfide; In ethanol; at -50 - -20 ℃; for 6h;

Reference yield: 90.0%

: C₁₇H₂₂O₃S

: 54928-91-5
ethyl 2-mercaptocyclohex-1-ene-1-carboxylate

Guidance literature:: With trifluoroacetic acid; at 50 ℃; for 6h; Inert atmosphere;

Reference yield:

: 122135-83-5
ethyl 2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate

: 54928-91-5
ethyl 2-mercaptocyclohex-1-ene-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / dichloromethane / 0.17 h / 0 - 5 °C / Inert atmosphere

1.2: 8.25 h / 0 - 20 °C

2.1: trifluoroacetic acid / 6 h / 50 °C / Inert atmosphere

With sodium hydride; trifluoroacetic acid; In dichloromethane;