81454-02-6

Basic information

• Product Name: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID
• Synonyms: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID
• CAS NO: 81454-02-6
• Molecular Formula: C₁₄H₁₃NO₅S
• Molecular Weight: 307.32
• Mol File: 81454-02-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 124-127°C
• Boiling Point: 576.9°Cat760mmHg
• Flash Point: 302.7°C
• Appearance: /
• Density: 1.37g/cm³
• Vapor Pressure: 3.76E-14mmHg at 25°C
• CAS DataBase Reference: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID(81454-02-6)
• EPA Substance Registry System: 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID(81454-02-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 81454-02-6(Hazardous Substances Data)

Usage

General Description

4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID is a chemical compound with the molecular formula C14H15NO5S. It is a pyrrole derivative and a potentially bioactive molecule. 4-OXO-4-[1-(PHENYLSULFONYL)-1H-PYRROL-3-YL]BUTANOIC ACID can be synthesized through various chemical reactions and is used in pharmacological research as a potential therapeutic agent. It has the potential to interact with biological systems and has shown promise in preliminary studies for its potential pharmacological activity. Its unique structure and potential biological effects make it an interesting compound for further research and investigation.

InChI:InChI=1/C14H13NO5S/c16-13(6-7-14(17)18)11-8-9-15(10-11)21(19,20)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,17,18)/p-1

Upstream product

• 108-30-5 succinic acid anhydride 
• 16851-82-4 N-phenylsulfonylpyrrole 
• 98-09-9 benzenesulfonyl chloride 

Downstream Products

• 344871-28-9 4-(1-Benzenesulfonyl-1H-pyrrol-3-yl)-butyryl chloride 
• 86689-00-1 1-(phenylsulfonyl)-1,4,5,6-tetrahydro-7H-indol-7-one 
• 23456-78-2 1,4,5,6-tetrahydro-7H-indol-7-one 
• 300655-18-9 pentafluorophenyl 1H-pyrrole-3-butyrate 
• 30000-61-4 4-(3-pyrrolyl)butanoic acid 
• 86688-99-5 4-<1-(Phenylsulfonyl)-3-pyrrolyl>butyric acid 

Relevant articles and documents

Strategies towards functionalised electronically conducting organic copolymers: Part 2. Copolymerisation

Here we discuss the application of X-ray photoelectron spectroscopy and absorbance-reflectance FT-IR spectroscopy to establish and quantify reactivity relationships between a range of thiophene and pyrrole monomers. In particular we investigate the application of these techniques to the characterisation of conducting polymer materials grown potentiostatically from solutions containing a binary mixture of monomers. Our data have shown that XPS is especially effective in determining polymer composition and the linear correlation between this and solution composition has enabled prescriptive synthesis of copolymer materials from the different combinations of monomers described here. This technique is much more convenient and more reliable than elemental analysis. In contrast we show that FT-IR studies, whilst providing a useful qualitative guide to the functional group content of the material, do not facilitate detailed quantitative analysis because of large intrinsic errors.

A SIMPLE AND EFFICIENT ROUTE TO β-SUBSTITUTED PYRROLES

N-Phenylsulfonylpyrrole undergoes Friedel-Crafts acylation exclusively at the β-position of the pyrrole ring, thus allowing a simple and efficient synthesis of β-acylated pyrroles.