13771-69-2

Basic information

• Product Name: Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester
• Synonyms: Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester;5-Fluoro-benzo[b]thiophene-2-carboxylic acid ethyl ester
• CAS NO: 13771-69-2
• Molecular Formula: C₁₁H₉FO₂S
• Molecular Weight: 224.2513632
• Mol File: 13771-69-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 88-89℃
• Boiling Point: 321.923°C at 760 mmHg
• Flash Point: 148.494°C
• Appearance: /
• Density: 1.307g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester(13771-69-2)
• EPA Substance Registry System: Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester(13771-69-2)

Safety Data

• Hazardous Substances Data: 13771-69-2(Hazardous Substances Data)

Usage

General Description

Benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester is a chemical compound that belongs to the class of carboxylic acid esters. It is characterized by the presence of a benzothiophene ring with a fluorine atom attached to the 5-position. The ethyl ester group is a common functional group found in organic compounds, providing stability and facilitating the compound's solubility in organic solvents. This chemical may have applications in various industries, including pharmaceuticals, agrochemicals, and materials science, due to its unique structural features and potential biological activities. Further research and testing may be necessary to fully understand the properties and potential uses of benzo[b]thiophene-2-carboxylic acid, 5-fluoro-, ethyl ester.

InChI:InChI=1/C11H9FO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3

Upstream product

• 2646-90-4 2,5-difluorobenzaldehyde 
• 623-51-8 ethyl 2-sulfanylacetate 

Downstream Products

• 13771-73-8 (5-fluorobenzo[b]thiophen-2-yl)methanol 
• 1279713-83-5 (R)-2-(5-fluorobenzo[b]thiophene-2-carboxamido)-3-phenylpropanoic acid 
• 1049008-07-2 (S)-2-(5-fluorobenzo[b]thiophene-2-carboxamido)-3-phenylpropanoic acid 
• 212078-65-4 1-(5-fluorobenzo[b]thiophen-2-yl)-3-(1-triphenylmethyl-1H-imidazol-4-yl)-propan-1-ol 
• 698367-98-5 4-[(E)-4-(5-fluorobenzo[b]thiophen-2-yl)-2-methyl-3-buten-2-yl]-1-triphenylmethyl-1H-imidazole 
• 698367-29-2 5-fluorobenzo[b]thiophene-2-carboxaldehyde 
• 70060-12-7 5-fluorobenzo[b]thiophene 
• 70060-13-8 5-fluorobenzo[b]thiophene-2-carboxylic acid 

Relevant articles and documents

MODULATORS OF TLR3/DSRNA COMPLEX AND USES THEREOF

The present invention provides compounds and compositions that can modulate formation of Toll-like receptor 3 (TLR3) and double-stranded RNA (dsRNA) complex, and methods for using the same. In particular, some aspects of the invention provide compounds of the formula (I) compositions comprising and methods for using the same, where n, Ar1, Ar2, X1, X2, X3, Z1, and Z2 are those defined herein.

C17,20-lyase inhibitors I. Structure-based de novo design and SAR study of C17,20-lyase inhibitors.

Novel nonsteroidal C(17,20)-lyase inhibitors were synthesized using de novo design based on its substrate, 17 alpha-hydroxypregnenolone, and several compounds exhibited potent C(17,20)-lyase inhibition. However, in vivo activities were found to be short-lasting, and in order to improve the duration of action, a series of benzothiophene derivatives were evaluated. As a result, compounds 9h, (S)-9i, and 9k with nanomolar enzyme inhibition (IC(50)=4-9 nM) and 9e (IC(50)=27 nM) were identified to have powerful in vivo efficacy with extended duration of action. The key structural determinants for the in vivo efficacy were demonstrated to be the 5-fluoro group on the benzothiophene ring and the 4-imidazolyl moiety. Superimposition of 9k and 17 alpha-hydroxypregnenolone demonstrated their structural similarity and enabled rationalization of the pharmacological results. In addition, selected compounds were also identified to be potent inhibitors of human enzyme with IC(50) values of 20-30 nM.