N-[(E)-benzylideneamino]-4-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-[(E)-benzylideneamino]-4-nitrobenzenesulfonamide
• CAS No.: 5448-68-0
• Molecular Formula: C13H11N3O4S
• Molecular Weight: 305.314
• NSC Number: 18066
• DSSTox Substance ID: DTXSID00430000
• Mol file: 5448-68-0.mol

Synonyms:NSC18066;5448-68-0;DTXSID00430000;NSC-18066

Chemical Property of N-[(E)-benzylideneamino]-4-nitrobenzenesulfonamide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 305.04702701
• Heavy Atom Count: 21
• Complexity: 467

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of N-[(E)-benzylideneamino]-4-nitrobenzenesulfonamide

There total 2 articles about N-[(E)-benzylideneamino]-4-nitrobenzenesulfonamide 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:

4-Nitrobenzenesulfonyl chloride (98-74-8) → benzaldehyde p-nitrobenzenesulfonylhydrazone (5448-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; benzene; hydrazine hydrate

With ethanol; hydrazine hydrate; benzene;

DOI:10.1039/jr9310000624

Reference yield:

4-nitrobenzenesulfonohydrazide (2937-05-5) + benzaldehyde (100-52-7) → benzaldehyde p-nitrobenzenesulfonylhydrazone (5448-68-0)

Guidance literature:

DOI:10.1039/jr9310000624

Reference yield: 99.0%

diethyl 2-phenylcyclopropane-1,1-dicarboxylate (3092-20-4) + benzaldehyde p-nitrobenzenesulfonylhydrazone (5448-68-0) → C21H23NO8S

Guidance literature:

With nickel(II) triflate; tin(IV) chloride; In o-xylene; at 60 ℃; for 10h; Molecular sieve;

upstream raw materials:

4-nitrobenzenesulfonohydrazide

benzaldehyde

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

1-((difluoromethyl)sulfonyl)-4-nitrobenzene