63132-85-4

Basic information

• Product Name: 3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE
• Synonyms: 1-PROPANESULFONAMIDE, 3-CHLORO-N-(1,1-DIMETHYLETHYL)-;3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE;N-TERT-BUTYL-3-CHLOROPROPANE-1-SULFONAMIDE;3-Chloropropane-1-Sulfonic
• CAS NO: 63132-85-4
• Molecular Formula: C₇H₁₆ClNO₂S
• Molecular Weight: 213.727
• Mol File: 63132-85-4.mol
• Article Data: 22

Chemical Properties

• Melting Point: 70-72 °C(Solv: hexane (110-54-3))
• Boiling Point: 293.735°C at 760 mmHg
• Flash Point: 131.446°C
• Appearance: /
• Density: 1.153g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.47
• Storage Temp.: 2-8°C
• PKA: 11.45±0.40(Predicted)
• CAS DataBase Reference: 3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE(63132-85-4)
• EPA Substance Registry System: 3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE(63132-85-4)

Safety Data

• Hazardous Substances Data: 63132-85-4(Hazardous Substances Data)

Usage

General Description

3-Chloro-propane-1-sulfonic acid tert-butylamide is a chemical compound with the formula C7H16ClNO3S. It is a derivative of propane sulfonic acid and is often used as a reagent in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. 3-CHLORO-PROPANE-1-SULFONIC ACID TERT-BUTYLAMIDE is a white to off-white solid with a high melting point, and is soluble in water and organic solvents. It is a versatile compound that is used in various chemical reactions, as well as in the manufacturing of dyes and pigments.

InChI:InChI=1/C7H16ClNO2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6H2,1-3H3

Upstream product

• 1633-82-5 3-chloro-n-propanesulfonyl chloride 
• 75-64-9 tert-butylamine 

Downstream Products

• 669008-25-7 N-(tert-butyl)-1-methylcyclopropane-1-sulfonamide 
• 669008-33-7 N-tert-butyl-(1-benzyl)cyclopropanesulfonamide 
• 669008-31-5 N-tert-butyl-(1-benzoyl)cyclopropanesulfonamide 
• 630421-42-0 N-t-butyl-1-cyclopropylsulfonamide 
• 669008-29-1 N-tert-butyl-[1-(1-hydroxy)cyclohexyl]-cyclopropanesulfonamide 

Relevant articles and documents

Toward the Synthesis of Fluorinated Analogues of HCV NS3/4A Serine Protease Inhibitors Using Methyl α-Amino-β-fluoro-β-vinylcyclopropanecarboxylate as Key Intermediate

Synthesis of fluorocyclopropyl building blocks, which constitute the core of various therapeutic agents against the hepatitis C virus, is described. The relevant methyl α-amino-β-fluoro-β-vinylcyclopropanecarboxylate has been used as a key intermediate for the total synthesis of a fluorinated analogue of Simeprevir (TMC 435), a HCV NS3/4A protease inhibitor.

Preparation of cyclopropyl sulfonylamides

A novel process for the preparation of cyclopropyl sulfonamide of the formula I is described. Cyclopropyl sulfonamide is a versatile building block for many biologically active compounds.

Inhibitors of Hepatitis C Virus

Macrocyclic peptides are disclosed having the general formula: wherein R3, R3′, R4, R6, R′, X, Q and W are described. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.