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

Base Information

Chemical Name:Carbamothioic acid, bis(1-methylethyl)-, S-2-cyclohexen-1-yl ester
CAS No.:51861-45-1
Molecular Formula:C13H23NOS
Molecular Weight:241.398
Hs Code.:
DSSTox Substance ID:DTXSID10457667
Mol file:51861-45-1.mol

Synonyms:51861-45-1;Carbamothioic acid, bis(1-methylethyl)-, S-2-cyclohexen-1-yl ester;DTXSID10457667

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

Supply Marketing:

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

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

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:241.15003553
Heavy Atom Count:16
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N(C(C)C)C(=O)SC1CCCC=C1

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

There total 1 articles about Carbamothioic acid, bis(1-methylethyl)-, S-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: 82.0%

: 19009-39-3
N,N-diisopropylcarbamoyl chloride

: 19756-08-2
cyclohex-2-ene-1-thiol

: 51861-45-1
S-(2-cyclohexenyl) N,N-diisopropylmonothiocarbamate

Guidance literature:: cyclohex-2-ene-1-thiol; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1.5h;

N,N-diisopropylcarbamoyl chloride; In tetrahydrofuran; at 80 ℃; for 17h; Further stages.;
DOI:10.1021/ol0266828

Reference yield: 99.0%

: 51861-45-1
S-(2-cyclohexenyl) N,N-diisopropylmonothiocarbamate

: 74-88-4
methyl iodide

: 479636-15-2
rac-S-(1-methylcyclohex-2-enyl) N,N-diisopropylmonothiocarbamate

Guidance literature:: S-(2-cyclohexenyl) N,N-diisopropylmonothiocarbamate; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In diethyl ether; at -78 ℃; for 1h;

methyl iodide; In diethyl ether; at -78 - 0 ℃; Further stages.;
DOI:10.1021/ol0266828

Reference yield: 90.0%

: 4392-24-9
Cinnamyl bromide

: 51861-45-1
S-(2-cyclohexenyl) N,N-diisopropylmonothiocarbamate

: 479635-97-7
rac-(E)-S-[1-(3-phenylprop-2-enyl)cyclohex-2-enyl] N,N-diisopropylmonothiocarbamate

Guidance literature:: S-(2-cyclohexenyl) N,N-diisopropylmonothiocarbamate; With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In diethyl ether; hexane; cyclohexane; at -78 ℃; for 0.75h;

Cinnamyl bromide; In diethyl ether; hexane; cyclohexane; at -78 - 0 ℃; Further stages.;
DOI:10.1021/ol0266828