63826-34-6

Basic information

• Product Name: 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
• Synonyms: 2-Acetamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid; 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-(acetylamino)-5,6,7,8-tetrahydro-
• CAS NO: 63826-34-6
• Molecular Formula: C₁₂H₁₅NO₃S
• Molecular Weight: 253.3174
• Mol File: 63826-34-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 494°C at 760 mmHg
• Flash Point: 252.5°C
• Density: 1.339g/cm³
• Vapor Pressure: 1.42E-10mmHg at 25°C
• Refractive Index: 1.629
• CAS DataBase Reference: 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid(63826-34-6)
• EPA Substance Registry System: 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid(63826-34-6)

Safety Data

• Hazardous Substances Data: 63826-34-6(Hazardous Substances Data)

Usage

Structure

Cyclohepta[b]thiophene ring and a carboxylic acid group
A complex structure consisting of a seven-membered ring with a sulfur atom (thiophene) and a carboxylic acid group attached.

Acetylation

Presence of an acetylamino group
An N-acetyl group is added to the amino group, which may affect the compound's properties and potential applications.

Potential pharmacological applications

Unique structure and functional groups
The specific properties and potential uses of this compound would need to be determined through further research and testing, but its unique structure suggests possible applications in medicine or pharmaceuticals.

Synthesis challenges

Complex structure and naming
The complex structure and naming of the compound suggest that it may be difficult to synthesize or isolate, requiring advanced techniques and methods.

Upstream product

• 885115-88-8 tert-butyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 
• 1588502-04-8 C₁₆H₂₃NO₃S 
• 502-42-1 cycloheptanone 

Downstream Products

• 63826-35-7 2-Methyl-6,7,8,9-tetrahydro-5H-3-oxa-10-thia-1-aza-benzo[a]azulen-4-one 

Relevant articles and documents

Synthesis and biological evaluation of 2-acetamidothiophene-3-carboxamide derivatives against Leishmania donovani

A high-throughput (HTS) and high-content screening (HCS) campaign of a commercial library identified 2-acetamidothophen-3-carboxamide as a novel scaffold for developing new anti-leishmanial agents. A series of chemical modifications were performed to study the structure-activity relationship (SAR) and in vitro anti-leishmanial activities were evaluated using biological assays of not only extracellular promastigotes but also intracellular amastigotes. Compound 6a showed promising anti-amastigote activity (EC50 = 6.41 μM) against L. donovani without any cytotoxicity (CC50 > 50 μM) towards human macrophages.