Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-

Base Information

Chemical Name:Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-
CAS No.:620175-21-5
Molecular Formula:C₂₂H₂₃N₃OS
Molecular Weight:377.51
Hs Code.:
DSSTox Substance ID:DTXSID50475901
Wikidata:Q82306727

Synonyms:Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-;620175-21-5;DTXSID50475901

Suppliers and Price of Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-

Supply Marketing:

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

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Chemical Property of Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-

Chemical Property:

XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:377.15618354
Heavy Atom Count:27
Complexity:554

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)NC1=C(C=C(C(=C1)C#N)C#N)SC2=CC=CC=C2

Technology Process of Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]-

There total 2 articles about Octanamide, N-[4,5-dicyano-2-(phenylthio)phenyl]- 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: 56.0%

: 111-64-8
n-octanoic acid chloride

: 620175-17-9
5-amino-4-phenylthiophthalodinitrile

: 620175-21-5
5-octanoylamino-4-phenylthiophthalodinitrile

Guidance literature:: at 160 ℃; for 1h;
DOI:10.1023/A:1024760525889

Reference yield:

: 370067-36-0
5-nitro-4-(phenylthio)phthalodinitrile

: 620175-21-5
5-octanoylamino-4-phenylthiophthalodinitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 71 percent / SnCl₂; aq. HCl / 2 h / 60 °C

2: 56 percent / 1 h / 160 °C

With hydrogenchloride; tin(ll) chloride;
DOI:10.1023/A:1024760525889