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Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate is a chemical compound characterized by the molecular formula C13H11FO2S. It is an ester with an ethyl group attached to the carboxylate functional group. ethyl 4-fluorobenzo[b]thiophene-2-carboxylate features a fluorine atom and a benzothiophene ring, which is a fused heterocyclic structure consisting of a benzene ring fused to a thiophene ring. Its unique structure and properties make it a compound of interest for various applications in organic synthesis, pharmaceuticals, and material science, and it holds potential for research and development in these fields.

1263280-02-9

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1263280-02-9 Usage

Uses

Used in Organic Synthesis:
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate is used as an intermediate in the synthesis of various organic compounds. Its unique structure allows for further functionalization and modification, making it a valuable building block in the creation of new molecules with specific properties and applications.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, ethyl 4-fluorobenzo[b]thiophene-2-carboxylate is used as a starting material or a key intermediate in the development of new drugs. Its fluorinated and heterocyclic nature may contribute to the design of novel therapeutic agents with improved pharmacokinetic and pharmacodynamic profiles.
Used in Material Science:
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate is utilized in material science for the development of new materials with specific properties. Its incorporation into polymers, coatings, or other materials can lead to enhanced performance characteristics, such as improved stability, solubility, or conductivity.
Used in Research and Development:
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate is employed as a research compound to explore its potential applications and properties. Scientists and researchers use ethyl 4-fluorobenzo[b]thiophene-2-carboxylate to investigate its reactivity, stability, and interactions with other molecules, which can lead to the discovery of new reactions, processes, or applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1263280-02-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,3,2,8 and 0 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1263280-02:
(9*1)+(8*2)+(7*6)+(6*3)+(5*2)+(4*8)+(3*0)+(2*0)+(1*2)=129
129 % 10 = 9
So 1263280-02-9 is a valid CAS Registry Number.

1263280-02-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 4-fluoro-1-benzothiophene-2-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1263280-02-9 SDS

1263280-02-9Downstream Products

1263280-02-9Relevant academic research and scientific papers

MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS

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Page/Page column 37; 48, (2016/12/22)

Positive allosteric modulators (PAMs) of nicotinic acetylcholine receptors (nAChR) are important therapeutic candidates as well as valuable research tools. We identified a novel type II PAM, (R)-7-bromo-N-(piperidin-3-yl)benzo[b]thiophene-2-carboxamide (B

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

Matsunaga, Nobuyuki,Kaku, Tomohiro,Itoh, Fumio,Tanaka, Toshimasa,Hara, Takahito,Miki, Hiroshi,Iwasaki, Masahiko,Aono, Tetsuya,Yamaoka, Masuo,Kusaka, Masami,Tasaka, Akihiro

, p. 2251 - 2273 (2007/10/03)

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.

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