80387-79-7

Basic information

• Product Name: 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&
• Synonyms: 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&;5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC ACID, 96%;5-(4-nitrophenyl)thiophene-2-carboxylic acid(SALTDATA: FREE)
• CAS NO: 80387-79-7
• Molecular Formula: C₁₁H₇NO₄S
• Molecular Weight: 249.24258
• Mol File: 80387-79-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 276-280 °C
• Boiling Point: 473.8°C at 760 mmHg
• Flash Point: 240.4°C
• Appearance: /
• Density: 1.478g/cm³
• Vapor Pressure: 8.75E-10mmHg at 25°C
• Refractive Index: 1.666
• CAS DataBase Reference: 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&(80387-79-7)
• EPA Substance Registry System: 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&(80387-79-7)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Hazardous Substances Data: 80387-79-7(Hazardous Substances Data)

Usage

General Description

5-(4-Nitrophenyl)thiophene-2-carboxylic acid is a chemical compound with the molecular formula C12H7NO4S. It is a thiophene derivative with a carboxylic acid group and a nitrophenyl substituent. 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC& is commonly used as a building block for the synthesis of various pharmaceuticals, agrochemicals, and functional materials. It may also have potential applications in the fields of organic electronic devices and materials science. The nitro group in the molecule makes it susceptible to reduction reactions, which can be utilized in the synthesis of other organic compounds. Overall, 5-(4-Nitrophenyl)thiophene-2-carboxylic acid is an important intermediate in organic synthesis with diverse potential applications in various industries.

InChI:InChI=1/C11H7NO4S/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)

Upstream product

• 7311-63-9 5-bromothiophene-2-carboxylic acid 
• 62224-19-5 5-bromo-2-thiophenecarboxylic acid methyl ester 
• 61100-12-7 methyl 5-(4-nitrophenyl)thiophene-2-carboxylate 
• 59156-21-7 2-(4-nitrophenyl)thiophene 
• 1052113-14-0 [5-(4-Nitro-phenyl)-thiophen-2-yl]-oxo-acetic acid ethyl ester 

Downstream Products

• 80387-66-2 5-(4-Amino-phenyl)-thiophene-2-carboxylic acid methyl ester 
• 80387-65-1 5-<4-(acetylamino)phenyl>-2-(methoxycarbonyl)thiophene 

Relevant articles and documents

Synthesis, characterization, and biological evaluation of new derivatives targeting MbtI as antitubercular agents

Tuberculosis (TB) causes millions of deaths every year, ranking as one of the most dangerous infectious diseases worldwide. Because several pathogenic strains of Mycobacterium tuberculosis (Mtb) have developed resistance against most of the established anti-TB drugs, new therapeutic options are urgently needed. An attractive target for the development of new antitubercular agents is the salicylate synthase MbtI, an essential enzyme for the mycobacterial siderophore biochemical machinery, absent in human cells. A set of analogues of I and II, two of the most potent MbtI inhibitors identified to date, was synthesized, characterized, and tested to elucidate the structural requirements for achieving an efficient MbtI inhibition and a potent antitubercular activity with this class of compounds. The structure-activity relationships (SAR) here discussed evidenced the importance of the furan as part of the pharmacophore and led to the preparation of six new compounds (IV-IX), which gave us the opportunity to examine a hitherto unexplored position of the phenyl ring. Among them emerged 5-(3-cyano-5-(trifluoromethyl)phenyl)furan-2-carboxylic acid (IV), endowed with comparable inhibitory properties to the previous leads, but a better antitubercular activity, which is a key issue in MbtI inhibitor research. Therefore, compound IV offers promising prospects for future studies on the development of novel agents against mycobacterial infections.