6949-23-1

Basic information

• Product Name: 4-METHYL-3-NITROBENZENESULFONAMIDE
• Synonyms: 4-(2-NITRO)TOLUENE SULPHONAMIDE;4-METHYL-3-NITROBENZENESULFONAMIDE;IFLAB-BB F1084-0126;2-nitrotoluene-4-sulphonamide;m-Nitro-p-toluenesulfonamide
• CAS NO: 6949-23-1
• Molecular Formula: C₇H₈N₂O₄S
• Molecular Weight: 216.21
• EINECS: 230-117-4
• Product Categories: pharmacetical;Organic Building Blocks;Sulfonamides/Sulfinamides;Sulfur Compounds
• Mol File: 6949-23-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 144°C
• Boiling Point: 399.7 °C at 760 mmHg
• Flash Point: 195.5 °C
• Appearance: /
• Density: 1.475
• Vapor Pressure: 1.35E-06mmHg at 25°C
• Refractive Index: 1.596
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 9.59±0.60(Predicted)
• CAS DataBase Reference: 4-METHYL-3-NITROBENZENESULFONAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-3-NITROBENZENESULFONAMIDE(6949-23-1)
• EPA Substance Registry System: 4-METHYL-3-NITROBENZENESULFONAMIDE(6949-23-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 6949-23-1(Hazardous Substances Data)

Usage

Uses

4-Methyl-3-nitrobenzenesulfonamide is an intermediate used to prepare α-keto amide inhibitors of hepatitis C virus NS3 protease. It is also used to synthesize 1,4-diazepane-3,5-dione derivs. for prevention and treatment of various diseases associated with chymase.

InChI:InChI=1/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)

Upstream product

• 54090-41-4 2-nitro-p-toluenesulfonyl chloride 
• 616-83-1 4-methyl-3-nitrobenzenesulfonyl chloride 
• 877-99-6 1-methoxy-4-(2-methyl-1-propenyl)benzene 
• 120893-18-7 4-methyl-3-nitrobenzenesulfonyl azide 
• 119-26-6 (2,4-dinitro-phenyl)-hydrazine 
• 4694-12-6 2,4,4-trimethylcyclopentan-1-one 
• 149-73-5 trimethyl orthoformate 
• 99170-74-8 3-Nitro-4-methyl-benzolsulfonyl-isopropylamid 

Downstream Products

• 29092-31-7 2-nitro-4-sulfamoyl-benzoic acid 
• 54090-41-4 2-nitro-p-toluenesulfonyl chloride 
• 6274-28-8 3-amino-4-methylbenzenesulfonamide 
• 25096-72-4 2-amino-4-sulfamoyl-benzoic acid 

Relevant articles and documents

TGF-beta receptor inhibitor

The invention provides a compound shown as a formula (I) and a pharmaceutical composition thereof. The compound shown as the formula (I) of the present invention is useful as a TGF-beta receptor inhibitor, particularly a TGF beta RI inhibitor, for example, in the prevention or treatment of various TGF beta RI (ALK5) mediated related diseases.

REACTION OF ORGANIC AZIDES WITH UNSATURATED COMPOUNDS XI. REARRANGEMENTS OF BICYCLIC TRIAZOLINES, OBTAINED FROM TAUTOMERIC 2,4,4-TRIMETHYL-AND 3,3,5-TRIMETHYL-1-METHOXYCYCLOPENTENES AND 4-METHYL-3-NITROBENZENESULFONYL AZIDE

The reaction of 4-methyl-3-nitrobenzenesulfonyl azide with the tautomeric 2,4,4-trimethyl- and 3,3,5-trimethyl-1-methoxycyclopentenes leads to the formation of the products from transformation of both triazolines in almost equal ratios.The less substituted triazoline is converted through the corresponding aziridine into the allylsulfonamide, while the more substituted triazoline rearranges preferentially to methyl N-arylsulfonyl-1,3,3-trimethylcyclobutanecarboximidate.