N-Isopropyl 3-nitrobenzenesulfonamide

Base Information

• Chemical Name: N-Isopropyl 3-nitrobenzenesulfonamide
• CAS No.: 28860-10-8
• Molecular Formula: C9H12 N2 O4 S
• Molecular Weight: 244.271
• Hs Code.: 2935009090
• NSC Number: 30396
• DSSTox Substance ID: DTXSID70283207
• Wikidata: Q82017695
• Mol file: 28860-10-8.mol

Synonyms:28860-10-8;N-ISOPROPYL 3-NITROBENZENESULFONAMIDE;n-isopropyl-3-nitrobenzenesulfonamide;3-nitro-N-propan-2-ylbenzenesulfonamide;3-nitro-N-(propan-2-yl)benzene-1-sulfonamide;NSC30396;SCHEMBL17526270;DTXSID70283207;3-nitro-N-isopropylbenzenesulfonamide;MFCD01985491;NSC 30396;NSC-30396;AKOS000608616;AB10595;BS-22216;F79889;A876592;AG-690/15431428;SR-01000314037;(9Z,12E)-9,12-TETRADECADIEN-1-YLACETATE;SR-01000314037-1

Chemical Property of N-Isopropyl 3-nitrobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 5.17E-06mmHg at 25°C
• Boiling Point: 381.2°C at 760 mmHg
• Flash Point: 184.3°C
• PSA: 100.37000
• Density: 1.318g/cm³
• LogP: 3.27640
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.05177804
• Heavy Atom Count: 16
• Complexity: 342

Purity/Quality:

98%min ^*data from raw suppliers

N-Isopropyl-3-nitrobenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Isopropyl 3-nitrobenzenesulfonamide

There total 2 articles about N-Isopropyl 3-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: 87.0%

isopropylamine (75-31-0) + 3-nitrobenzenesulphonyl chloride (121-51-7) → N-methylethyl-3-nitrobenzenesulfonamide (28860-10-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2010.06.038

Reference yield: 86.0%

→ N-methylethyl-3-nitrobenzenesulfonamide (28860-10-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h;

Reference yield: 96.0%

N-methylethyl-3-nitrobenzenesulfonamide (28860-10-8) → 3-amino-N-(methylethyl)benzenesulfonamide (118837-66-4)

Guidance literature:

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In tetrahydrofuran; methanol; at 0 ℃; for 0.333333h;

DOI:10.1016/j.bmc.2010.06.038

upstream raw materials:

isopropylamine

3-nitrobenzenesulphonyl chloride

Downstream raw materials:

3-nitrophenylsulfonamide

3-amino-N-(methylethyl)benzenesulfonamide

Refernces

• 1、 -. "POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS". Page/Page column 122; 123. . Retrieved 2016/04/26.