26461-80-3

Basic information

• Product Name: 3-(Benzo[b]thiophen-3-yl)propanoicacid
• Synonyms: 3-(Benzo[b]thiophen-3-yl)propanoicacid;3-(1-BENZOTHIOPHEN-3-YL)PROPANOIC ACID
• CAS NO: 26461-80-3
• Molecular Formula: C₁₁H₁₀O₂S
• Molecular Weight: 206.26
• Mol File: 26461-80-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 145 °C
• Boiling Point: 227 °C(Press: 19 Torr)
• Appearance: /
• Density: 1.313±0.06 g/cm3(Predicted)
• PKA: 4.62±0.10(Predicted)
• CAS DataBase Reference: 3-(Benzo[b]thiophen-3-yl)propanoicacid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Benzo[b]thiophen-3-yl)propanoicacid(26461-80-3)
• EPA Substance Registry System: 3-(Benzo[b]thiophen-3-yl)propanoicacid(26461-80-3)

Safety Data

• Hazardous Substances Data: 26461-80-3(Hazardous Substances Data)

Usage

General Description

3-(Benzo[b]thiophen-3-yl)propanoic acid is a chemical compound with the molecular formula C11H10O2S. It belongs to the class of organic compounds known as benzo[b]thiophenes, which are aromatic heterocyclic compounds containing a thiophene ring fused to a benzene ring. 3-(Benzo[b]thiophen-3-yl)propanoicacid is derived from propanoic acid with the addition of a 3-(benzo[b]thiophen-3-yl) group. It is a carboxylic acid with potential anti-inflammatory and analgesic properties and may be used in pharmaceutical research for the development of new medications to treat various diseases and conditions.

Upstream product

• 5381-20-4 benzothiophene-3-carboxaldehyde 
• 19985-73-0 3-(2-bromoethyl)benzothiophene 
• 913549-17-4 methyl 3-(benzothiophen-3-yl)propanoate 
• 95-15-8 Benzo[b]thiophene 
• 21683-90-9 benzo[b]thiophen-3-ylmethyl-malonic acid diethyl ester 
• 3133-87-7 2-benzo[b]thiophen-3-yl-ethanol 
• 3216-47-5 3-chloromethylbenzothiophene 
• 5381-29-3 benzothiophene-3-acrylic acid 
• 21683-91-0 benzo[b]thiophen-3-ylmethyl-malonic acid 
• 843652-83-5 3-benzo[b]thiophen-3-yl-propionitrile 
• 19492-96-7 1-benzo[b]thiophen-3-yl-propan-1-one 
• 585-29-5 triethylammonium formate 

Downstream Products

• 1160485-52-8 N-(2-aminophenyl)-3-(benzo[b]thiophen-3-yl)propanamide 
• 635713-08-5 3-(3-benzo[b]thiophen-3-yl-propionyl)-4(R)-benzyl-oxazolidin-2-one 

Relevant articles and documents

Synthesis, NMR Spectroscopy, and Molecular Modeling of 2-Methyl-2,3,4,5-tetrahydro-1H-[1]benzothieno[2,3-c]azepine

Abstract: A new synthetic approach to fused azepines was demonstrated on an example ofthe synthesis of 2-methyl-2,3,4,5-tetrahydro-1H-[1]benzothieno[2,3-c]azepine. The key stage of the synthesis is the formation of theazepine ring under the Eschweiler–Clark reaction conditions. The Gibbs energy ofactivation for the inversion of the azepine ring was determined by dynamic1H NMR spectroscopy. Molecular modeling of thestructure and estimation of the 1H and13C NMR chemical shifts were performed for2-methyl-2,3,4,5-tetrahydro-1H-[1]-benzothieno[2,3-c]azepine. The magnetic shielding tensors were calculated by thestandard GIAO method using the B3LYP/6-31G(d,p)-optimized molecular geometryparameters. The solvent effect was taken into account in the PCM approximation.The calculated 1H and 13CNMR chemical shifts of 2-methyl-2,3,4,5-tetrahydro-1H-[1]-benzothieno[2,3-c]azepine are in good agreement with the experimental valuesobserved in the spectra of its DMSO-d6 solution.

Calcitonin gene related peptide receptor antagonists

The present invention relates to compounds of Formula (I) as antagonists of calcitonin gene-related peptide receptors (“CGRP-receptor”), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

Antidepressant 1-arylalkyl-4-(alkoxy pyridinyl)-and 4-(alkoxypyrimidinyl) piperazine derivatives

Novel compound of formula I and pharmaceutically acceptable salts thereof are useful CNS agents: STR1 wherein X is CH or N; X' is CH or a direct covalent link; Y is CH, CH2 or N; Y' is N, NH, O or S; R1 is H, Br, Cl, F, C1-4 alkyl, C1-4 alkoxy, C1-4 alkoxycarbonyl, CN, CONH2 or CH3 SO2 NH; n is 2 or 3; R2 is H or C1-4 alkyl; R3 is C1-4 alkoxy; R4 is H, Br, Cl, or F; and Z is CH or N.