88770-22-3

Basic information

• Product Name: 5-Nitro-thiophene-3-carboxylic acid Methyl ester
• Synonyms: 5-Nitro-thiophene-3-carboxylic acid Methyl ester;methyl 5-nitrothiophene-3-carboxylate;methyl 5-nitrothiophene-3-carboxylate(WX191350)
• CAS NO: 88770-22-3
• Molecular Formula: C₆H₅NO₄S
• Molecular Weight: 187.1732
• EINECS: -0
• Mol File: 88770-22-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 298.6±20.0 °C(Predicted)
• Appearance: /
• Density: 1.454±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-Nitro-thiophene-3-carboxylic acid Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Nitro-thiophene-3-carboxylic acid Methyl ester(88770-22-3)
• EPA Substance Registry System: 5-Nitro-thiophene-3-carboxylic acid Methyl ester(88770-22-3)

Safety Data

• Hazardous Substances Data: 88770-22-3(Hazardous Substances Data)

Usage

General Description

5-Nitro-thiophene-3-carboxylic acid Methyl ester is a chemical compound with the molecular formula C7H5NO4S. It is a methyl ester derivative of 5-nitro-thiophene-3-carboxylic acid and is commonly used in organic synthesis and pharmaceutical research. 5-Nitro-thiophene-3-carboxylic acid Methyl ester is known for its strong nitro group and its potential as a building block in the production of various pharmaceutical and agrochemical products. It is important to handle this compound with caution due to its potentially hazardous properties, and it should only be used by trained professionals in a controlled laboratory setting.

Upstream product

• 40357-96-8 5-nitro-thiophene-3-carboxylic acid 
• 74-88-4 methyl iodide 
• 88-13-1 3-Thiophene carboxylic acid 
• 67-56-1 methanol 
• 22913-26-4 methyl thiophene-3-carboxylate 

Downstream Products

• 1094070-83-3 C₂₇H₃₇N₇O₂SSi 
• 1094071-89-2 C₂₇H₃₉N₇OSSi 
• 1094205-83-0 C₂₁H₂₅N₇S 
• 22913-25-3 methyl benzothiophene-3-carboxylate 
• 304696-21-7 5-(3-benzyl-ureido)-thiophene-3-carboxylic acid methyl ester 
• 304696-22-8 5-(3-benzyl-ureido)-thiophene-3-carboxylic acid 
• 40357-96-8 5-nitro-thiophene-3-carboxylic acid 

Relevant articles and documents

Diels-Alder reactions for the rational design of benzo[b]thiophenes: DFT-based guidelines for synthetic chemists

In this work we studied the capability of several diene/dienophile pairs to undergo Diels-Alder (DA) reactions leading to benzo[b]thiophenes. A variety of synthetically and commercially available nitrothiophenes were chosen as dienophiles. Methyl 5-nitro-3-thiophenecarboxylate was selected as a potential strong electrophilic candidate based on some DFT-based properties and the substitution pattern of the expected product. The mechanistic details concerning the participation of this dienophile in polar DA reactions were investigated through a theoretical point of view. The results were compared with the experimental outcomes. This methodology should allow synthetic chemists to analyze DA reactions in detail in a stage prior to the synthetic job.

ANTIFUNGAL AGENTS

Compounds of formula (I), and pharmaceutically acceptable salts thereof, may be used in therapy, for example as antifungal agents: (I) wherein: Rl, R2, R3, R4, R5, R6, R7, X and X1 are as defined herein. Certain compounds of formula (I) are also provided. Compounds of formula (T), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

Meisenheimer-type Adducts from Thiophene Derivates. Part 6. A Kinetic and Thermodynamic Study of Substituent Effects on the Formation of Some non-gem Adducts

The rate and equilibrium constants for the formation of the Meisenheimer-type adducts from some 4-nitro-2-X- (5) or some 2-nitro-4-X-thiophenes (7) and sodium methoxide have been measured at 25 deg C in methanol or methanol-dimethyl sulphoxide mixtures.The observed stability and reactivity patterns have been interpreted in the light of the hyper-ortho relation in the thiophene ring and the special ability of the nitro group to stabilize effectively the adducts from a para-like position also.