60442-41-3

Basic information

• Product Name: ETHYL 2-[(2-CHLOROACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
• Synonyms: benzo(b)thiophene-3-carboxylicacid,4,5,6,7-tetrahydro-2-((chloroacetyl)amino);ethyl4,5,6,7-tetrahydro-2-((chloroacetyl)amino)benzo(b)thiophene-3-carboxyla;AKOS AU36-M213;AKOS B006573;AKOS 92889;AKOS BBS-00000638;2-(2-CHLORO-ACETYLAMINO)-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER;1-BENZOTHIOPHENE-3-CARBOXYLIC ACID, 2-[(2-CHLOROACETYL)AMINO]-4,5,6,7-TETRAHYDRO-, ETHYL ESTER
• CAS NO: 60442-41-3
• Molecular Formula: C₁₃H₁₆ClNO₃S
• Molecular Weight: 301.79
• Mol File: 60442-41-3.mol
• Article Data: 15

Chemical Properties

• Melting Point: 113-115°C
• Boiling Point: 519.4°C at 760 mmHg
• Flash Point: 268°C
• Appearance: /
• Density: 1.343g/cm³
• Vapor Pressure: 6.82E-11mmHg at 25°C
• Refractive Index: 1.601
• PKA: 12.10±0.20(Predicted)
• CAS DataBase Reference: ETHYL 2-[(2-CHLOROACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-[(2-CHLOROACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(60442-41-3)
• EPA Substance Registry System: ETHYL 2-[(2-CHLOROACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(60442-41-3)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 60442-41-3(Hazardous Substances Data)

Usage

General Description

Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a chemical compound that belongs to the class of benzothiophenes, which are a group of organic compounds containing a benzene ring fused to a thiophene ring. The compound contains an ethyl ester group, a chlorine atom, and an amino group bonded to the benzothiophene ring. It is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals due to its potential biological activity. Additionally, it may have applications in the field of medicinal chemistry and drug development. However, as with any chemical compound, it is important to handle and use it with appropriate safety precautions and in accordance with established protocols.

InChI:InChI=1/C13H16ClNO3S/c1-2-18-13(17)11-8-5-3-4-6-9(8)19-12(11)15-10(16)7-14/h2-7H2,1H3,(H,15,16)

Upstream product

• 108-94-1 cyclohexanone 
• 105-56-6 ethyl 2-cyanoacetate 
• 6802-76-2 ethyl 2-cyano-2-cyclohexylideneacetate 
• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 154201-52-2 2-diethylaminoacetylamino-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophene 
• 1415716-72-1 C₁₄H₁₉N₃O₃S₂*ClH 
• 54968-59-1 (6,7-tetramethylene-1-oxo-1,2-dihydrothieno[2,3-d]pyrimidin-3-ylsulfanyl)acetic acid ethyl ester 
• 1447585-64-9 ethyl 2-({[(5-{[(4-methylphenyl)amino]carbonyl}-2-{2-[(4-methylphenyl)amino]-2-oxoethyl}pyrimidin-4-yl)thio]acetyl}amino)-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate 
• 1420294-22-9 ethyl 2-(2-(4-(2-fluorobenzyl)piperazin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 496777-64-1 ethyl 2-(2-(4-(4-methoxyphenyl)piperazin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 309945-60-6 ethyl 2-(2-(4-benzylpiperazin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 698980-13-1 ethyl 2-(2-(4-benzylpiperidin-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 96334-44-0 2-amino-3-ethoxycarbonyl-7-oxo-4,5,6,7-tetrahydrobenzothiophene 
• 96334-46-2 7-oxo-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 

Relevant articles and documents

Discovery of new apoptosis-inducing agents for breast cancer based on ethyl 2-amino-4,5,6,7-tetra hydrobenzo[b]thiophene-3-carboxylate: Synthesis, in vitro, and in vivo activity evaluation

A multicomponent synthesis was empolyed for the synthesis of ethyl 2-amino-4,5,6,7- tetrahydrobenzo[b]thiophene-3-carboxylate 1. An interesting cyclization was obtained when the amino-ester 1 reacted with ethyl isothiocyanate to give the benzo[4,5]thieno[

Novel thiazole-thiophene conjugates as adenosine receptor antagonists: Synthesis, biological evaluation and docking studies

Here we report novel thiazole-thiophene conjugates as adenosine receptor antagonists. All the molecules were evaluated for their binding affinity for adenosine receptors. Most of the molecules were found to interact with the A1, A2A and A3 adenosine receptor subtypes with good affinity values. The most potent and selective compound 8n showed an A3 Ki value of 0.33 μM with selectivity ratios of >90 versus the A1 and >30 versus the A2 subtypes. For compound 8n docking studies into the binding site of the A3 adenosine receptor are provided to visualize its binding mode.

COMPOUNDS FOR TREATING VIRAL INFECTIONS

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