7311-95-7

Basic information

• Product Name: ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE
• Synonyms: AKOS B000948;2-AMINO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER;ART-CHEM-BB B000948;ETHYL-2-AMINO-BENZO(B)THIOPENE-3-CARBOXYLATE;ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE;2-Amino-benzo[b]thiophene-3-carboxylic acid;2-AMino-1-benzothiophene-3-carboxylic acid ethyl ester;ETHYL-2-AMINO-BENZO(B)THI...
• CAS NO: 7311-95-7
• Molecular Formula: C₁₁H₁₁NO₂S
• Molecular Weight: 221.28
• Mol File: 7311-95-7.mol
• Article Data: 9

Chemical Properties

• Melting Point: 107-108 °C
• Boiling Point: 373.4 °C at 760 mmHg
• Flash Point: 179.6 °C
• Appearance: /
• Density: 1.303 g/cm³
• Vapor Pressure: 9.02E-06mmHg at 25°C
• Refractive Index: 1.666
• Storage Temp.: Store below +30°C.
• PKA: 1.24±0.10(Predicted)
• CAS DataBase Reference: ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE(7311-95-7)
• EPA Substance Registry System: ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE(7311-95-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 7311-95-7(Hazardous Substances Data)

Usage

General Description

Ethyl-2-amino-benzo(b)thiophene-3-carboxylate is a chemical compound that belongs to the class of benzo(b)thiophene derivatives. It is commonly used in pharmaceutical research and drug development, particularly in the synthesis of potential therapeutic agents. Ethyl-2-amino-benzo(b)thiophene-3-carboxylate has shown potential pharmacological properties, including anti-cancer, anti-inflammatory, and antimicrobial activities. Its molecular structure contains an ethyl ester group, an amino group, and a carboxylate group attached to a benzo(b)thiophene ring, making it a versatile building block for the development of new drugs with enhanced biological activities. The synthesis and study of Ethyl-2-amino-benzo(b)thiophene-3-carboxylate continue to be of interest in the scientific community for its potential applications in medicinal chemistry.

InChI:InChI=1/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3

Upstream product

• 108-94-1 cyclohexanone 
• 105-56-6 ethyl 2-cyanoacetate 
• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 547706-52-5 2-(cyclopropanecarbonyl-amino)-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 5919-29-9 ethyl 2-acetylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 7311-77-5 2-acetylamino-benzo[b]thiophene-3-carboxylic acid ethyl ester 

Downstream Products

• 122945-79-3 3-Methyl-4-oxo-4H-1,9-dithia-3a,10-diaza-cyclopenta[b]fluorene-2-carboxylic acid ethyl ester 
• 934394-04-4 3-(4-fluoro-phenyl)-2-mercapto-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 
• 221061-08-1 2-amino-6-bromobenzo[b]thiophene-3-carboxylic acid ethyl ester 
• 18774-49-7 8-thia-4,6-diazatricyclo[7.4.0.0[2,7]]trideca-1⁽⁹⁾,2⁽⁷⁾,3,5,10,12-hexaen-3-ol 
• 1182278-70-1 benzo[4,5]thieno[2,3-d]pyrimidin-4-yl-(3-fluoro-phenyl)-amine 
• 1372985-52-8 ethyl 2-[bis-(benzenesulphonyl)amino]benzo[b]thiophene-3-carboxylate 
• 901370-33-0 ethyl 2-benzenesulphonylaminobenzo[b]thiophene-3-carboxylate 
• 1209006-08-5 cyclohexyl 4-[4-({2-[(ethylcarbamoyl)amino]-1-benzothiophen-3-yl}carbonyl)piperazin-1-yl]piperidine-1-carboxylate 
• 1209006-15-4 1-[3-({4-[1-(cyclohexylcarbonyl)piperidin-4-yl]piperazin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea 
• 1209006-98-3 cyclohexyl 4-{4-[(2-amino-1-benzothiophen-3-yl)-carbonyl]piperazin-1-yl}piperidine-1-carboxylate 
• 1209006-91-6 (2-amino-1-benzothiophen-3-yl){4-[1-(cyclohexylcarbonyl)piperidin-4-yl]piperazin-1-yl}methanone 

Relevant articles and documents

Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication

A structure-based virtual screening technique was applied to the study of the HCV NS3 helicase, with the aim to find novel inhibitors of the HCV replication. A library of ～450000 commercially available compounds was analysed in silico and 21 structures were selected for biological evaluation in the HCV replicon assay. One hit characterized by a substituted thieno-pyrimidine scaffold was found to inhibit the viral replication with an EC50value in the sub-micromolar range and a good selectivity index. Different series of novel thieno-pyrimidine derivatives were designed and synthesised; several new structures showed antiviral activity in the low or sub-micromolar range.

A simple synthesis of alkyl 2-aminobenzo[ b ]thiophene-3-carboxylates via an unexpected dehydrogenation of alkyl 2-amino-4,5,6,7-tetrahydrobenzo[ b ]thiophene-3-carboxylates

A simple method for the preparation of alkyl 2-aminobenzo[b]thiophene-3-carboxylates is described. Alkyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylates, generated from the Gewald three-component reaction between cyclohexanones, alkyl cyanoacetates and sulfur, undergo dehydrogenation in benzonitrile under an air atmosphere to afford alkyl 2-aminobenzo[b]thiophene-3-carboxylates in good to excellent yields.

TRICYCLIC BENZO[4,5]THIENO-[2,3-D]PYRIMIDINE-4-YL-AMIN DERIVATIVES, THEIR SALTS, PROCESS FOR PRODUCING THE COMPOUNDS AND THEIR PHARMACEUTICAL USE

The invention relates to novel tricyclic benzo[4,5]thieno-[2,3-d]pyrimidine-4-yl-amin derivatives, as well as their pharmaceutically acceptable salts. The subject of the invention too the process for producing the compounds and their use as a pharmaceutic