1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate

Base Information

Chemical Name:1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate
CAS No.:109687-68-5
Molecular Formula:C₁₆H₂₅NO₂S
Molecular Weight:295.446
Hs Code.:
DSSTox Substance ID:DTXSID401147077
Nikkaji Number:J2.584.529C

Synonyms:DTXSID401147077;109687-68-5;1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate

Suppliers and Price of 1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate

Supply Marketing:

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

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Chemical Property of 1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:295.16060021
Heavy Atom Count:20
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(CSC1=CC=CC=C1)NC(=O)OC(C)(C)C
Isomeric SMILES:CC(C)[C@@H](CSC1=CC=CC=C1)NC(=O)OC(C)(C)C

Technology Process of 1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate

There total 10 articles about 1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]carbamate 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: 78.0%

: 108-98-5
thiophenol

: 220064-79-9
4-isopropyl-2-oxo-oxazolidine-3-carboxylic acid tert-butyl ester

: 109687-68-5
(S)-N-tert-butoxycarbonyl-2-amino-3-methyl-1-thiophenylbutane

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; for 48h; Reflux;
DOI:10.1016/j.tetasy.2010.05.015

Reference yield: 75.0%

: 882-33-7
diphenyldisulfane

: 197020-62-5
(S)‐isopropyl‐N‐Boc aziridine

: 109687-68-5
(S)-N-tert-butoxycarbonyl-2-amino-3-methyl-1-thiophenylbutane

Guidance literature:: With hydrogenchloride; zinc; In water; at 80 ℃; for 2h; stereospecific reaction; Inert atmosphere; Ionic liquid; Schlenk technique; Green chemistry;
DOI:10.1016/j.tet.2012.09.049

Reference yield: 71.0%

: 108-98-5
thiophenol

: 122818-28-4
(S)-2-(N-tert-butoxycarbonylamino)-3-methylbutyl tosylate

: 109687-68-5
(S)-N-tert-butoxycarbonyl-2-amino-3-methyl-1-thiophenylbutane

Guidance literature:: thiophenol; With sodium hydride; In hexane; N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

(S)-2-(N-tert-butoxycarbonylamino)-3-methylbutyl tosylate; In hexane; N,N-dimethyl-formamide; at 0 - 20 ℃;
DOI:10.1021/jo9910177