Pentanethioamide, N-(phenylmethyl)-

Base Information

Chemical Name:Pentanethioamide, N-(phenylmethyl)-
CAS No.:163313-56-2
Molecular Formula:C12H17NS
Molecular Weight:207.34
Hs Code.:
DSSTox Substance ID:DTXSID70404955
Nikkaji Number:J694.724G
Wikidata:Q82209315
Mol file:163313-56-2.mol

Synonyms:Pentanethioamide, N-(phenylmethyl)-;163313-56-2;DTXSID70404955

Suppliers and Price of Pentanethioamide, N-(phenylmethyl)-

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
Packaging
price

Total 0 raw suppliers

Chemical Property of Pentanethioamide, N-(phenylmethyl)-

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:207.10817072
Heavy Atom Count:14
Complexity:162

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(=S)NCC1=CC=CC=C1

Technology Process of Pentanethioamide, N-(phenylmethyl)-

There total 2 articles about Pentanethioamide, N-(phenylmethyl)- 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: 88.0%

: 109-72-8,29786-93-4
n-butyllithium

: 622-78-6
Benzyl isothiocyanate

: 163313-56-2
N-benzylpentanethioamide

Guidance literature:: at 0 ℃; Inert atmosphere;
DOI:10.1002/chem.201504247

Reference yield:

: 693-03-8
n-butyl magnesium bromide

: 75-15-0,12122-00-8
carbon disulfide

: 100-46-9
benzylamine

: 163313-56-2
N-benzylpentanethioamide

Guidance literature:: With 1-((trifluoromethyl)sulfonyl)-1H-benzo[d][1,2,3]triazole; Product distribution; Mechanism; multistep reaction; var. Grignard reagents and amines; var. reag. in 2.) step: Tf₂O or Ac₂O;
DOI:10.1055/s-1995-4144

Reference yield: 51.0%

: 88-15-3,97511-16-5
2-Acetylthiophene

: 163313-56-2
N-benzylpentanethioamide

: 5-methyl-4-phenyl-5-(2-thienyl)-1,3-oxazolidine-2-thione

Guidance literature:: 2-Acetylthiophene; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.5h;

N-benzylpentanethioamide; In tetrahydrofuran; at 20 ℃; for 4h; Further stages.;
DOI:10.1021/jo070545c