1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-

Base Information

Chemical Name:1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-
CAS No.:142744-23-8
Molecular Formula:C22H26 N6 O5 S
Molecular Weight:486.544
Hs Code.:
DSSTox Substance ID:DTXSID20162159
Nikkaji Number:J491.787A
Wikidata:Q83030731
Pharos Ligand ID:APUG6CGYDLFU
ChEMBL ID:CHEMBL107673

Synonyms:BRN 5841153;CHEMBL107673;1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-;142744-23-8;C22H26N6O5S;DTXSID20162159;BDBM50004660;LS-29601;N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-pyridin-3-ylmethyl-benzene-1,3-diamine;N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(3-pyridinylmethyl)benzene-1,5-diamine

Suppliers and Price of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-

Supply Marketing:

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

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Chemical Property of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-

Chemical Property:

Boiling Point:673.5°Cat760mmHg
Flash Point:361.1°C
Density:1.378g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:486.16853912
Heavy Atom Count:34
Complexity:648

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-])NCC3=CN=CC=C3

Technology Process of 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)-

There total 3 articles about 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)- 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: 41.0%

: 3731-52-0
3-Aminomethylpyridine

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

: 142744-23-8
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N'-pyridin-3-ylmethyl-benzene-1,3-diamine

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

Reference yield:

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

: 142744-23-8
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N'-pyridin-3-ylmethyl-benzene-1,3-diamine

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Na₂CO₃ / acetonitrile / Ambient temperature

2: 41 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

: 142744-23-8
N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N'-pyridin-3-ylmethyl-benzene-1,3-diamine

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Na₂CO₃ / acetonitrile / Ambient temperature

2: 41 percent / Na₂CO₃ / acetonitrile / Heating

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