1,2-Ditosylamino-4-fluoro-5-nitrobenzene

Base Information

• Chemical Name: 1,2-Ditosylamino-4-fluoro-5-nitrobenzene
• CAS No.: 113269-03-7
• Molecular Formula: C20H18 F N3 O6 S2
• Molecular Weight: 479.51
• Hs Code.: 2935909099
• DSSTox Substance ID: DTXSID30395895
• Wikidata: Q82196260
• Mol file: 113269-03-7.mol

Synonyms:1,2-Ditosylamino-4-fluoro-5-nitrobenzene;113269-03-7;N-[4-fluoro-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide;Benzenesulfonamide,N,N'-(4-fluoro-5-nitro-1,2-phenylene)bis[4-methyl- (9CI);N,N'-(4-Fluoro-5-nitro-1,2-phenylene)bis(4-methylbenzenesulfonamide);SCHEMBL5955952;DTXSID30395895;BCMRZDOSXXSLEV-UHFFFAOYSA-N;MFCD00113575;FT-0752259;N,N'-(4-Fluoro-5-nitro-1,2-phenylene)bis(4-methylbenzene-1-sulfonamide);N-[4-fluoro-5-nitro-2-(4-toluenesulfonylamino)-phenyl]-4-toluenesulfonamide

Chemical Property of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 8.69E-16mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 630.1°Cat760mmHg
• PKA: 5.32±0.10(Predicted)
• Flash Point: 334.9°C
• PSA: 154.92000
• Density: 1.516g/cm³
• LogP: 6.78310
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 479.06210581
• Heavy Atom Count: 32
• Complexity: 851

Purity/Quality:

99%min ^*data from raw suppliers

1,2-DITOSYLAMINO-4-FLUORO-5-NITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)F)[N+](=O)[O-]

Technology Process of 1,2-Ditosylamino-4-fluoro-5-nitrobenzene

There total 4 articles about 1,2-Ditosylamino-4-fluoro-5-nitrobenzene 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: 70.0%

N,N'-(4-fluoro-1,2-phenylene)bis(4-methylbenzenesulfonamide) (113269-02-6) → 4-fluoro-5-nitro-1,2-di(4-methylbenzenesulfonylamino)benzene (113269-03-7)

Guidance literature:

With nitric acid; acetic acid; for 0.666667h;

DOI:10.3987/R-1987-09-2433

Reference yield:

2-nitro-4-fluoroaniline (364-78-3) → 4-fluoro-5-nitro-1,2-di(4-methylbenzenesulfonylamino)benzene (113269-03-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / 50percent aq. phosphinic acid / 10percent Pd/C / methanol / 0.33 h / Heating

2: 95 percent / pyridine / 18 h / 85 °C

3: 70 percent / fuming HNO₃, CH₃COOH / 0.67 h

With pyridine; nitric acid; hypophosphorous acid; acetic acid; palladium on activated charcoal; In methanol;

DOI:10.3987/R-1987-09-2433

Reference yield:

4-fluoro-1,2-phenylenediamine (367-31-7) → 4-fluoro-5-nitro-1,2-di(4-methylbenzenesulfonylamino)benzene (113269-03-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / pyridine / 18 h / 85 °C

2: 70 percent / fuming HNO₃, CH₃COOH / 0.67 h

With pyridine; nitric acid; acetic acid;

DOI:10.3987/R-1987-09-2433

upstream raw materials:

N,N'-(4-fluoro-1,2-phenylene)bis(4-methylbenzenesulfonamide)

4-fluoro-1,2-phenylenediamine

2-nitro-4-fluoroaniline

p-toluenesulfonyl chloride

Downstream raw materials:

6-fluoro-7-nitroquinoxaline

4-fluoro-5-nitrobenzene-1,2-diamine

Refernces

• 1、 -. "Sulfonamide-based compounds as protein tyrosine kinase inhibitors". Page/Page column 1/16; 7; 10. . Retrieved 2008/06/13.