54997-92-1

Basic information

• Product Name: 4-N-BUTYLBENZENESULFONYL CHLORIDE
• Synonyms: AKOS B019385;4-BUTYLBENZENE-1-SULFONYL CHLORIDE;4-(N-BUTYL)BENZENESULPHONYL CHLORIDE;4-N-BUTYLBENZENESULFONYL CHLORIDE;BUTTPARK 97\57-94;ART-CHEM-BB B019385;4-butylbenzenesulfonyl chloride(SALTDATA: FREE);4-(But-1-yl)benzenesulphonyl chloride
• CAS NO: 54997-92-1
• Molecular Formula: C₁₀H₁₃ClO₂S
• Molecular Weight: 232.73
• Mol File: 54997-92-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 13-15°C
• Boiling Point: 126 °C
• Flash Point: 141.4 °C
• Appearance: liquid
• Density: 1.212 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 4-N-BUTYLBENZENESULFONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N-BUTYLBENZENESULFONYL CHLORIDE(54997-92-1)
• EPA Substance Registry System: 4-N-BUTYLBENZENESULFONYL CHLORIDE(54997-92-1)

Safety Data

• Hazard Codes: C,Xi
• Statements: 20/21/22-34-29-14-43
• Safety Statements: 26-27-36/37/39-8-45-30-22-36/37
• RIDADR: 3265
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 54997-92-1(Hazardous Substances Data)

Usage

General Description

4-N-Butylbenzenesulfonyl chloride is a chemical compound that belongs to the class of sulfonyl chlorides. It is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. The presence of a butyl group in its structure makes it useful in the synthesis of diverse organic compounds with specific properties. It is also utilized in the production of materials such as dyes and polymers. Due to its reactivity and ability to introduce sulfonyl chlorides into organic molecules, it is also used as a key reagent in organic synthesis. However, it is important to handle this chemical with caution as it is highly corrosive and can cause severe skin and eye irritation.

InChI:InChI=1/C10H13ClO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3

Upstream product

• 104-51-8 1-butylbenzene 

Downstream Products

• 25111-61-9 3-(4-Butyl-benzolsulfonylamino)-propionsaeurenitril 
• 4946-15-0 4-butylthiophenol 
• 86887-27-6 4-Butyl-N-(4-chloro-3-nitro-phenyl)-benzenesulfonamide 
• 1135-00-8 (4-n-butylbenzene)sulfonamide 
• 956102-17-3 7-(4-butyl-benzenesulfonylamino)-1,2,4,5-tetrahydro-benzo[d]azepine-3-carboxylic acid tert-butyl ester 
• 1002750-58-4 1-(4-butylbenzenesulfonyl)piperidine-4,4-diol 
• 784137-02-6 4-butyl-N-(2,3-dihydro-1H-isoindol-5-yl)-benzenesulfonamide 

Relevant articles and documents

Development of sulfonamide AKT PH domain inhibitors

Disruption of the phosphatidylinositol 3-kinase/AKT signaling pathway can lead to apoptosis in cancer cells. Previously we identified a lead sulfonamide that selectively bound to the pleckstrin homology (PH) domain of AKT and induced apoptosis when present at low micromolar concentrations. To examine the effects of structural modification, a set of sulfonamides related to the lead compound was designed, synthesized, and tested for binding to the expressed PH domain of AKT using a surface plasmon resonance-based competitive binding assay. Cellular activity was determined by means of an assay for pAKT production and a cell killing assay using BxPC-3 cells. The most active compounds in the set are lipophilic and possess an aliphatic chain of the proper length. Results were interpreted with the aid of computational modeling. This paper represents the first structure-activity relationship (SAR) study of a large family of AKT PH domain inhibitors. Information obtained will be used in the design of the next generation of inhibitors of AKT PH domain function.

Catalytic Properties of Carbonyl Reductase from Rabbit Kidney for Acetohexamide and Its Analogs

Analogs submitted by ethyl, n-propyl, n-butyl, and isopropyl groups instead of methyl group adjacent to a ketone group of acetohexamide were synthesized and the structural requirements of carbonyl reductase from rabbit kidney for these analogs were kineti