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5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE, also known as 5-fluoroindoline, is a heterocyclic chemical compound with the molecular formula C8H8FN. It features a fluorine atom and an indole ring, which contribute to its unique structure and properties. 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE has garnered interest for its potential pharmaceutical applications, serving as a building block in drug synthesis and an intermediate in the production of organic compounds. Additionally, it is utilized in research and development to explore the structure-activity relationships of various drugs, making it a valuable asset in both the pharmaceutical and chemical industries.

94805-51-3

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94805-51-3 Usage

Uses

Used in Pharmaceutical Industry:
5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE is used as a building block in drug synthesis for its potential to contribute to the development of new pharmaceutical compounds. Its unique structure, which includes a fluorine atom and an indole ring, allows for the creation of molecules with specific therapeutic properties.
Used in Chemical Industry:
In the chemical industry, 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE serves as an intermediate in the production of organic compounds. Its presence in these compounds can influence their reactivity, stability, and other chemical properties, making it a useful component in the synthesis of various organic materials.
Used in Research and Development:
5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE is utilized in research and development as a tool to study the structure-activity relationships of drugs. Understanding how the compound's structure affects its activity can provide insights into the design of more effective pharmaceuticals and contribute to the advancement of drug discovery processes.

Check Digit Verification of cas no

The CAS Registry Mumber 94805-51-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,8,0 and 5 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 94805-51:
(7*9)+(6*4)+(5*8)+(4*0)+(3*5)+(2*5)+(1*1)=153
153 % 10 = 3
So 94805-51-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H4N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,(H,8,9)

94805-51-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Oxo-1,2-dihydropyridine-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE

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:94805-51-3 SDS

94805-51-3Relevant academic research and scientific papers

ORGANIC COMPOUNDS

-

, (2014/05/24)

Novel benzofuran derivatives are disclosed. The derivatives have S1P1 receptor activity and/or disease modifying activity and find use in the treatment of conditions or diseases associated with the immune, vascular and nervous systems in animals and/or humans

PROCESS FOR PRODUCTION OF 2-HYDROXY-4-SUBSTITUTED PYRIDINES

-

Page/Page column 10-11, (2008/06/13)

A process for preparing a 2-hydroxy-4-substituted pyridine compound using a microbiological method, a novel microorganism, and a novel compound are provided. According to the process, a function of a microorganism or a product obtained therefrom is exerted on a 4-substituted pyridine of the general formula (1): wherein R is a methyl group, a carboxyl group, a carbamoyl group, a hydroxyiminomethyl group or a cyano group, to obtain the corresponding 2-hydroxy-4-substituted pyridine compound. The novel microorganisms are the Delftia species YGK-A649 (FERM BP-10389), Delftia species YGK-C217 (FERM BP-10388), or Acidovorax species YGK-A854 (FERM BP-10387) and the novel compound is a 2-hydroxy-4-pyridinaldoxime.

Bifunctional catalysis of ester aminolysis - A computational and experimental study

Wang, Li-Hsing,Zipse, Hendrik

, p. 1501 - 1509 (2007/10/03)

Various pathways for the reaction of methylamine with methyl acetate catalyzed by 2(1H)-pyridone have been investigated at the Becke3LYP/6-31G**//HF/6-31G** level of theory. The most favorable pathway consists of a one-step reaction, in which all bond-forming and -breaking processes occur in concert. These modeling studies also show the pyridone to function as an acid, which led to the investigation of several substituted pyridones. 4-Cyano-, 3-cyano-6-methyl-, and 3-cyano-2(1H)-pyridone have indeed been shown to provide better catalysis in the ester aminolysis reaction by ab initio modeling at the Becke3LYP/6-31G**//HF/3-21G level. In order to verify the theoretical results, the catalytic activities of various substituted 2-pyridones in the reaction of n-butylamine with p-nitrophenyl acetate in chlorobenzene solution have been determined. The observed catalytic rate constants are indeed in agreement with the theoretical predictions. Other catalyst characteristics such as solubility and state of aggregation are, however, also of paramount importance in this reaction. VCH Verlagsgesellschaft mbH, 1996.

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