Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-

Base Information

Chemical Name:Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-
CAS No.:142744-29-4
Molecular Formula:C₂₃H₂₄N₆O₅S
Molecular Weight:496.547
Hs Code.:
DSSTox Substance ID:DTXSID50162162
Nikkaji Number:J491.793F
Wikidata:Q83030737
Pharos Ligand ID:NJMQV8YFQC3C
ChEMBL ID:CHEMBL106082

Synonyms:BRN 5841483;142744-29-4;Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-;CHEMBL106082;C23H24N6O5S;DTXSID50162162;BDBM50004658;C23-H24-N6-O5-S;LS-38698;2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylamino]-2,4-dinitro-phenylamino}-benzonitrile;N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(2-cyanophenyl)benzene-1,5-diamine

Suppliers and Price of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-

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 Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-

Chemical Property:

Vapor Pressure:4.09E-17mmHg at 25°C
Boiling Point:656.6°C at 760 mmHg
Flash Point:350.9°C
Density:1.39g/cm³
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:496.15288906
Heavy Atom Count:35
Complexity:753

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CC1=CC=C(O1)CSCCNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC3=CC=CC=C3C#N

Technology Process of Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)-

There total 3 articles about Benzonitrile, 2-((5-((2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)amino)-2,4-dinitrophenyl)amino)- 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: 24.0%

: 142744-14-7
N-<2-<<<5-<(dimethylamino)methyl>-2-furanyl>methyl>thio>ethyl>-2,4-dinitro-5-fluoroaniline

: 1885-29-6
anthranilic acid nitrile

: 142744-29-4
2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylamino]-2,4-dinitro-phenylamino}-benzonitrile

Guidance literature:: With sodium carbonate; In acetonitrile; Heating;
DOI:10.1021/jm00095a008

Reference yield:

: 327-92-4
1,5-difluoro-2,4-dinitrobenzene

: 142744-29-4
2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylamino]-2,4-dinitro-phenylamino}-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Na₂CO₃ / acetonitrile / Ambient temperature

2: 24 percent / Na₂CO₃ / acetonitrile / Heating

With sodium carbonate; In acetonitrile;
DOI:10.1021/jm00095a008

Reference yield:

: 66356-53-4
5-{[(2-aminoethyl)thio]methyl}-N,N-dimethyl-2-furfurylamine

: 142744-29-4
2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylamino]-2,4-dinitro-phenylamino}-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Na₂CO₃ / acetonitrile / Ambient temperature

2: 24 percent / Na₂CO₃ / acetonitrile / Heating

With sodium carbonate; In acetonitrile;
DOI:10.1021/jm00095a008