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3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is a chemical compound with the molecular formula C20H16FNO2. It is an ethyl ester derivative of 3-(4'-fluorophenyl)indole-2-carboxylic acid, which is an indole derivative. 3-(4'-FLUOROPHENYL)INDOLE-2-CARBOXYLIC ACID ETHYL ESTER features an indole moiety and a fluoro-substituted phenyl ring, which contribute to its unique properties and potential biological activities. It is used in various research and industrial applications, particularly in the field of pharmaceuticals and drug development, and has been investigated for its potential use in the treatment of various diseases and medical conditions.

93957-39-2

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93957-39-2 Usage

Uses

Used in Pharmaceutical Research and Development:
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a promising candidate for the development of new drugs targeting specific biological pathways.
Used in Drug Discovery:
In the drug discovery process, 3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is used as a potential lead compound for the identification and optimization of new therapeutic agents. Its indole and fluoro-substituted phenyl moieties can be modified to explore different chemical space and improve the drug-like properties of the resulting molecules.
Used in Medicinal Chemistry:
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is used as a building block in medicinal chemistry for the design and synthesis of novel bioactive molecules. Its structural features can be exploited to modulate the binding affinity, selectivity, and pharmacokinetic properties of the resulting compounds, making it a valuable tool in the development of new therapeutic agents.
Used in Chemical Synthesis:
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is used as a versatile synthetic intermediate in the preparation of various organic compounds. Its reactivity and functional groups can be utilized in various chemical reactions, such as esterification, amidation, and cross-coupling reactions, to access a wide range of target molecules with potential applications in different fields.
Used in Chemical Biology:
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester is used as a molecular probe in chemical biology to study the structure, function, and interactions of biological systems. Its unique chemical properties can be employed to modulate protein-protein interactions, enzyme activities, or cellular signaling pathways, providing valuable insights into the underlying mechanisms of various diseases and conditions.
Used in Material Science:
3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester can be used as a functional component in the development of advanced materials with specific properties, such as fluorescence, photochromism, or self-assembly behavior. Its incorporation into polymers, nanoparticles, or supramolecular systems can lead to the creation of novel materials with potential applications in sensing, imaging, or drug delivery.

Check Digit Verification of cas no

The CAS Registry Mumber 93957-39-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,3,9,5 and 7 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 93957-39:
(7*9)+(6*3)+(5*9)+(4*5)+(3*7)+(2*3)+(1*9)=182
182 % 10 = 2
So 93957-39-2 is a valid CAS Registry Number.
InChI:InChI=1/C17H14FNO2/c1-2-21-17(20)16-15(11-7-9-12(18)10-8-11)13-5-3-4-6-14(13)19-16/h3-10,19H,2H2,1H3

93957-39-2SDS

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 3-(4-fluorophenyl)-1H-indole-2-carboxylate

1.2 Other means of identification

Product number -
Other names 3-(4'-Fluorophenyl)indole-2-carboxylic acid ethyl ester

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:93957-39-2 SDS

93957-39-2Relevant academic research and scientific papers

BACTERIAL EFFLUX PUMP INHIBITORS

-

, (2018/12/13)

Disclosed herein are compounds of formula I and salts thereof. Also disclosed are compositions comprising compounds of formula I and methods using compounds of formula I.

Synthesis of 3-arylindole-2-carboxylates via copper-catalyzed hydroarylation of o-nitrophenyl-substituted alkynoates and subsequent cadogan cyclization

Yamamoto, Yoshihiko,Yamada, Satoshi,Nishiyama, Hisao

, p. 701 - 706 (2011/05/08)

A two-step route to biologically important 3-arylindole-2-carboxylic esters has been successfully established: o-nitrophenyl-substituted alkynoates underwent copper-catalyzed hydroarylation in the presence of commercially available arylboronic acids to afford 3,3-diarylacrylates, which were then converted to indolecarboxylates via a modified Cadogan cyclization using a molybdenum catalyst and triphenylphosphine. Copyright

Fused lactones as a route to functionalized 1-substituted indoles

Schuster,Coppola

, p. 1381 - 1384 (2007/10/02)

Indole lactones 8 and 14 were synthesized as a means of functionalizing the 1-isopropyl substituent of the indole nucleus. Lactone 8, upon reduction with diisobutylaluminum hydride, produces lactol 9 which behaves like a masked hydroxy aldehyde and underg

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