(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Base Information

Chemical Name:(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide
CAS No.:904326-09-6
Molecular Formula:C13H18N2S
Molecular Weight:234.365
Hs Code.:
DSSTox Substance ID:DTXSID40470506
Nikkaji Number:J2.266.415H
Wikidata:Q82298619

Synonyms:(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide;904326-09-6;SCHEMBL15581744;DTXSID40470506

Suppliers and Price of (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

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
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Total 0 raw suppliers

Chemical Property of (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:234.11906976
Heavy Atom Count:16
Complexity:236

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NC(=S)C2CCCN2
Isomeric SMILES:C[C@H](C1=CC=CC=C1)NC(=S)[C@@H]2CCCN2

Technology Process of (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

There total 5 articles about (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide 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: 94.0%

: 914097-66-8
(S)-2-methyl-2-propanyl 2-[((R)-phenylethyl)carbamothioyl]-1-pyrrolidinacarboxylate

: 904326-09-6
(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Guidance literature:: With triethylsilane; trifluoroacetic acid; In dichloromethane; for 3h;
DOI:10.1002/adsc.200505247 DOI:10.1002/ejoc.200600219

Reference yield:

: 3886-69-9
(R)-1-phenyl-ethyl-amine

: 904326-09-6
(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: triethylamine; ethyl chloroformate / tetrahydrofuran / 0.5 h / 0 °C

1.2: 89 percent / tetrahydrofuran / 16 h / 20 °C

2.1: 72 percent / Lawesson's reagent / toluene / Heating

3.1: 94 percent / TFA; Et₃SiH / CH₂Cl₂ / 3 h

With Lawessons reagent; triethylsilane; chloroformic acid ethyl ester; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1002/ejoc.200600219

Reference yield:

: 913577-88-5
(2S)-2-[((1R)-1-phenylethyl)carbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester

: 904326-09-6
(2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / Lawesson's reagent / toluene / Heating

2: 94 percent / TFA; Et₃SiH / CH₂Cl₂ / 3 h

With Lawessons reagent; triethylsilane; trifluoroacetic acid; In dichloromethane; toluene;
DOI:10.1002/adsc.200505247 DOI:10.1002/ejoc.200600219