17514-60-2

Basic information

• Product Name: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE
• Synonyms: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE;BUTTPARK 37\04-21;Ethyl 3-methyl-5-nitro-1-benzothiophene-2-carboxylate
• CAS NO: 17514-60-2
• Molecular Formula: C12H11NO4S
• Molecular Weight: 265.29
• Mol File: 17514-60-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 406.7°Cat760mmHg
• Flash Point: 199.8°C
• Appearance: /
• Density: 1.356g/cm³
• Vapor Pressure: 7.97E-07mmHg at 25°C
• Refractive Index: 1.637
• CAS DataBase Reference: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE(17514-60-2)
• EPA Substance Registry System: ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE(17514-60-2)

Safety Data

• Hazardous Substances Data: 17514-60-2(Hazardous Substances Data)

Usage

General Description

Ethyl 3-methyl-5-nitrobenzo[b]thiophene-2-carboxylate is a chemical compound with a molecular formula of C13H11NO4S. It is a yellow solid with a molecular weight of 273.3 g/mol. ETHYL 3-METHYL-5-NITROBENZO[B]THIOPHENE-2-CARBOXYLATE is often used in the synthesis of various pharmaceuticals and agrochemicals due to its unique structural properties. It is also utilized in organic chemistry research as a reagent and building block for the preparation of other complex molecules. Additionally, the nitro group present in the molecule makes it a potential candidate for further derivatization and modification for use in various applications.

InChI:InChI=1/C12H11NO4S/c1-3-17-12(14)11-7(2)9-6-8(13(15)16)4-5-10(9)18-11/h4-6H,3H2,1-2H3

Upstream product

• 65130-31-6 1-(2′-bromo-5′-nitrophenyl)ethan-1-one 
• 623-51-8 ethyl 2-sulfanylacetate 
• 23082-50-0 2'-chloro-5'-nitroacetophenone 

Downstream Products

• 31310-19-7 5-amino-3-methyl-benzo[b]thiophene-2-carboxylic acid ethyl ester 
• 17514-61-3 methyl-5-nitrobenzo[b]thiophene-2-carboxylic acid 

Relevant articles and documents

Design, synthesis, and biological evaluation of novel benzo[b]thiophene-diaryl urea derivatives as potential anticancer agents

A hybrid pharmacophore approach was applied to design and synthesize a series of benzo[b]thiophene-diaryl urea derivatives 17a–g with potential anticancer effect. In vitro antiproliferative activities of all target compounds were evaluated against HT-29 a

Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway

Pancreatic ductal adenocarcinoma (PDAC) is one of the most common type of pancreatic cancer, and has still been the medicinal mystery. New drugs and treatment strategies are urgently needed. In this study, 32 benzofuran derivatives are designed, synthesized and evaluated as potential agents against the pancreatic cancer. Among them, compound 9o with the best physicochemical and pharmacokinetic properties exhibited excellent cytotoxicity against many tumor cell lines. In vivo study showed that compound 9o dramatically suppressed the tumor growth of nude mice. Furthermore, compound 9o could affect the hypoxia environment through Hif-1α/VEGF pathway, resulting in the anti-angiogenic activity. These studies indicated that compound 9o was a promising candidate for the treatment of PDAC, deserving further studies.