Methyl (1Z)-N-benzylpent-4-enimidothioate

Base Information

Chemical Name:Methyl (1Z)-N-benzylpent-4-enimidothioate
CAS No.:114627-99-5
Molecular Formula:C13H17NS
Molecular Weight:219.351
Hs Code.:
DSSTox Substance ID:DTXSID20579662

Synonyms:114627-99-5;Methyl (1Z)-N-benzylpent-4-enimidothioate;DTXSID20579662

Suppliers and Price of Methyl (1Z)-N-benzylpent-4-enimidothioate

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 1 raw suppliers

Chemical Property of Methyl (1Z)-N-benzylpent-4-enimidothioate

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:219.10817072
Heavy Atom Count:15
Complexity:205

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC(=NCC1=CC=CC=C1)CCC=C

Technology Process of Methyl (1Z)-N-benzylpent-4-enimidothioate

There total 1 articles about Methyl (1Z)-N-benzylpent-4-enimidothioate 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:

: 58170-54-0
N-benzyl 4-pentenethioamide

: 74-88-4
methyl iodide

: 114627-99-5
N-Benzyl-pent-4-enimidothioic acid methyl ester

Guidance literature:: With potassium carbonate; In acetone; for 15h; Ambient temperature;
DOI:10.1021/jo00281a022

Reference yield:

: 114627-99-5
N-Benzyl-pent-4-enimidothioic acid methyl ester

: 13618-93-4
indolizidine

Guidance literature:: Multi-step reaction with 6 steps

1: iodine / tetrahydrofuran / 48 h / 5 °C

2: NaBH₄, n-Bu₃SnCl / ethanol / 1 h / 38 °C / Irradiation

3: 2,4-bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide / benzene / 2 h / Heating

4: 1.) triethyloxonium boron tetrafluoride, 2.) NaBH₄ / 1.) CH₂Cl₂, room temperature, 1 h, 2.) MeOH, room temperature, 1 h

5: 69 percent / hydrogen / Pd(OH)2 / methanol / 25 h

6: 99 percent / LiAlH₄ / tetrahydrofuran / 15 h / Heating

With Lawessons reagent; sodium tetrahydroborate; lithium aluminium tetrahydride; tributyltin chloride; hydrogen; iodine; triethyloxonium fluoroborate; palladium dihydroxide; In tetrahydrofuran; methanol; ethanol; benzene;
DOI:10.1021/jo00281a022