39978-57-9

Basic information

• Product Name: 5-Nitrothiophene-2-carbonyl Chloride
• Synonyms: 5-Nitro-2-thenoyl Chloride;5-Nitro-2-thiophenecarbonyl Chloride;5-Nitrothiophene-2-carbonyl Chloride;5-Nitrothiophene-2-carboxylic Acid Chloride;5-Nitrothiophene-2-formyl Chloride
• CAS NO: 39978-57-9
• Molecular Formula: C₅H₂ClNO₃S
• Molecular Weight: 191.59
• Product Categories: Heterocyclic Compounds;Heterocycles;Inhibitors;Sulfur & Selenium Compounds
• Mol File: 39978-57-9.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 299.523°C at 760 mmHg
• Flash Point: 134.947°C
• Appearance: /
• Density: 1.635g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: 5-Nitrothiophene-2-carbonyl Chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Nitrothiophene-2-carbonyl Chloride(39978-57-9)
• EPA Substance Registry System: 5-Nitrothiophene-2-carbonyl Chloride(39978-57-9)

Safety Data

• Hazardous Substances Data: 39978-57-9(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 39978-57-9 differently. You can refer to the following data:
1. A thiophene building block. An intermediate of raltitrexed
2. A thiophene building block. An intermediate of raltitrexed.

InChI:InChI=1/C5H2ClNO3S/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H

Upstream product

• 527-72-0 2-thiophenylcarboxylic acid 
• 16689-02-4 5-nitro-2-thienyl cyanide 
• 4521-33-9 5-nitro-2-thiophenecarboxaldehyde 
• 6317-37-9 5-nitrothiophene-2-carboxylic acid 

Downstream Products

• 83851-86-9 (5-nitro-2-thenoyl)-DL-Phe-OMe 
• 89266-28-4 [2-(5-Nitro-thiophene-2-carbonyloxy)-benzyl]-triphenyl-phosphonium; bromide 
• 89266-32-0 [5-Methoxy-2-(5-nitro-thiophene-2-carbonyloxy)-benzyl]-triphenyl-phosphonium; bromide 
• 89266-36-4 [5-Chloro-2-(5-nitro-thiophene-2-carbonyloxy)-benzyl]-triphenyl-phosphonium; bromide 
• 891845-32-2 cyclohexyl 5-nitro-2-thiophenecarboxylate 
• 5832-00-8 5-nitrothiophene-2-carboxamide 
• 79822-86-9 N-phenyl-5-nitro-2-thiophenecarboxamide 

Relevant articles and documents

Bayesian Modeling and Intrabacterial Drug Metabolism Applied to Drug-Resistant Staphylococcus aureus

We present the application of Bayesian modeling to identify chemical tools and/or drug discovery entities pertinent to drug-resistant Staphylococcus aureus infections. The quinoline JSF-3151 was predicted by modeling and then empirically demonstrated to be active against in vitro cultured clinical methicillin- and vancomycin-resistant strains while also exhibiting efficacy in a mouse peritonitis model of methicillin-resistant S. aureus infection. We highlight the utility of an intrabacterial drug metabolism (IBDM) approach to probe the mechanism by which JSF-3151 is transformed within the bacteria. We also identify and then validate two mechanisms of resistance in S. aureus: one mechanism involves increased expression of a lipocalin protein, and the other arises from the loss of function of an azoreductase. The computational and experimental approaches, discovery of an antibacterial agent, and elucidated resistance mechanisms collectively hold promise to advance our understanding of therapeutic regimens for drug-resistant S. aureus.

Antifungal Application of Rosin Derivatives from Renewable Pine Resin in Crop Protection

In the current work, we synthesized two series of dehydroabietyl amide derivatives from natural product rosin and evaluated their antifungal effects on Valsa mali, Phytophthora capsici, Botrytis cinerea, Sclerotinia sclerotiorum, and Fusarium oxysporum. In vitro and in vivo antifungal activities results indicated that rosin-based amide compounds containing thiophene heterocycles had better inhibitory effects on B. cinerea. In particular, compound 5b (5-fluoro-2-thiophene dehydroabietyl amide) exhibited the excellent antifungal properties against B. cinerea with an EC50 of 0.490 mg/L, which was lower compared to the positive control penthiopyrad (0.562 mg/L). Physiological and biochemical studies showed that the primary action mechanism of compound 5b on B. cinerea changes mycelial morphology, increases cell membrane permeability, and inhibits the TCA pathway in respiratory metabolism. Furthermore, QSAR and SAR studies revealed that charge distribution of rosin-based amides derivatives have a key role in the antifungal activity through the hydrogen bonding, conjugation, and electrostatic interaction between the compounds and the receptors of the target. To sum up, this study contributes to the development of rosin-based antifungal agents with a novel structure and preferable biological activity.

Raltitrexed impurity C and preparation and application thereof

The invention discloses a potential blood system toxic impurity C of Raltitrexed, a preparation method thereof, and an application of the impurity C as an impurity reference substance.