Methyl (1Z)-3-methyl-N-phenylheptanimidothioate

Base Information

Chemical Name:Methyl (1Z)-3-methyl-N-phenylheptanimidothioate
CAS No.:95502-92-4
Molecular Formula:C15H23NS
Molecular Weight:249.42
Hs Code.:
DSSTox Substance ID:DTXSID90557957

Synonyms:95502-92-4;Methyl (1Z)-3-methyl-N-phenylheptanimidothioate;DTXSID90557957

Suppliers and Price of Methyl (1Z)-3-methyl-N-phenylheptanimidothioate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Methyl (1Z)-3-methyl-N-phenylheptanimidothioate

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:249.15512091
Heavy Atom Count:17
Complexity:219

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C)CC(=NC1=CC=CC=C1)SC

Technology Process of Methyl (1Z)-3-methyl-N-phenylheptanimidothioate

There total 4 articles about Methyl (1Z)-3-methyl-N-phenylheptanimidothioate 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: 95.0%

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

: 95502-91-3
(E)-N-phenyl butene-2 imidothioate de methyle

: 95502-92-4
methyl-3 N-phenyl heptanimidothioate de methyle

Guidance literature:: In tetrahydrofuran; at -78 ℃; for 2h;

Reference yield:

: 103-72-0
phenyl isothiocyanate

: 95502-92-4
methyl-3 N-phenyl heptanimidothioate de methyle

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) THF

2: 85 °C / 0.4 Torr

3: 95 percent / tetrahydrofuran / 2 h / -78 °C

In tetrahydrofuran;

Reference yield:

: 121726-26-9
N-phenyl butene-3 imidothioate de methyle

: 95502-92-4
methyl-3 N-phenyl heptanimidothioate de methyle

Guidance literature:: Multi-step reaction with 2 steps

1: 5 percent DBU / tetrahydrofuran / 16 h / Heating

2: 95 percent / tetrahydrofuran / 2 h / -78 °C

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;