Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester

Base Information

Chemical Name:Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester
CAS No.:255851-54-8
Molecular Formula:C10H17NOS
Molecular Weight:199.317
Hs Code.:
DSSTox Substance ID:DTXSID70476314
Nikkaji Number:J1.731.352E
Wikidata:Q82307443
Mol file:255851-54-8.mol

Synonyms:255851-54-8;Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester;DTXSID70476314

Suppliers and Price of Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:199.10308534
Heavy Atom Count:13
Complexity:201

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NC(=O)SC1CCCC=C1
Isomeric SMILES:CC(C)NC(=O)S[C@H]1CCCC=C1

Technology Process of Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester

There total 6 articles about Carbamothioic acid, (1-methylethyl)-, S-(1S)-2-cyclohexen-1-yl ester 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: 86.0%

: 255851-53-7
(+)-(R)-O-cyclohex-2-enyl N-isopropylmonothiocarbamate

: 255851-54-8
isopropyl-thiocarbamic acid S-((S)-cyclohex-2-enyl) ester

Guidance literature:: at 105 ℃; for 5h;
DOI:10.1002/1099-0690(200209)2002:17<2970::AID-EJOC2970>3.0.CO;2-J

Reference yield: 80.0%

: 2253-73-8
isopropyl isothiocyanate

: 3413-44-3
(R)-2-cyclohexen-1-ol

: 255851-54-8
isopropyl-thiocarbamic acid S-((S)-cyclohex-2-enyl) ester

: 255851-53-7
(+)-(R)-O-cyclohex-2-enyl N-isopropylmonothiocarbamate

Guidance literature:: (R)-2-cyclohexen-1-ol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

isopropyl isothiocyanate; In tetrahydrofuran; at 0 ℃; for 1h; Further stages.;
DOI:10.1002/1099-0690(200209)2002:17<2970::AID-EJOC2970>3.0.CO;2-J

Reference yield:

: 3413-44-3
(R)-2-cyclohexen-1-ol

: 255851-54-8
isopropyl-thiocarbamic acid S-((S)-cyclohex-2-enyl) ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 1 h / 0 °C

1.2: tetrahydrofuran / 1 h

2.1: 3 h / 105 °C

With sodium hydride; In tetrahydrofuran;
DOI:10.1021/ol991134o