4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline

Base Information

• Chemical Name: 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline
• CAS No.: 16431-72-4
• Molecular Formula: C₁₆H₁₈N₄O₆S
• Molecular Weight: 394.408
• NSC Number: 177719
• DSSTox Substance ID: DTXSID10306585
• Wikidata: Q82053741
• Mol file: 16431-72-4.mol

Synonyms:16431-72-4;NSC177719;DTXSID10306585;4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline;NSC-177719

Chemical Property of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline

Chemical Property:

• Boiling Point: 591.7°Cat760mmHg
• Flash Point: 311.6°C
• Density: 1.421g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 394.09470548
• Heavy Atom Count: 27
• Complexity: 601

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline

There total 1 articles about 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline 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:

bis(4-chloro-3-nitrophenyl)sulfone (1759-05-3) + dimethyl amine (124-40-3) → Bis-<4-dimethylamino-3-nitro-phenyl>-sulfon (16431-72-4)

Guidance literature:

With potassium carbonate; In ethanol; Heating;

DOI:10.1021/jm00314a054

upstream raw materials:

bis(4-chloro-3-nitrophenyl)sulfone

dimethyl amine

Refernces