94805-51-3

Basic information

• Product Name: 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE
• Synonyms: 2,3-DIHYDRO-5-FLUORO(1H)-INDOLE;4-Pyridinecarbonitrile,1,2-dihydro-2-oxo-(9CI);1,2-dihydro-2-oxo-4-Pyridinecarbonitrile
• CAS NO: 94805-51-3
• Molecular Formula: C₆H₄N₂O
• Molecular Weight: 120.11
• Product Categories: NITRILE;blocks;Pyridines
• Mol File: 94805-51-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 285-288
• Boiling Point: 102-104°C/6.8mm
• Flash Point: 107 °C
• Appearance: /
• Density: 1.27 g/cm³
• Vapor Pressure: 0.000143mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE(94805-51-3)
• EPA Substance Registry System: 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE(94805-51-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37
• Hazardous Substances Data: 94805-51-3(Hazardous Substances Data)

Usage

General Description

5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE, also known as 5-fluoroindoline, is a chemical compound with the molecular formula C8H8FN. It is a heterocyclic compound that contains a fluorine atom and an indole ring. 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE has been studied for its potential pharmaceutical applications, including as a building block in drug synthesis and as an intermediate in the production of organic compounds. It is also used in research and development to study the structure-activity relationships of various drugs. 5-FLUORO-2,3-DIHYDRO-(1H)-INDOLE may have potential applications in the pharmaceutical and chemical industries due to its unique structure and properties.

InChI:InChI=1/C6H4N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,(H,8,9)

Upstream product

• 14906-59-3 4-cyanopyridine N-oxide 
• 552331-00-7 4-(iodo)pyridin-2-amine 
• 42182-27-4 4-cyanopyridin-2-amine 
• 504-29-0 2-aminopyridine 
• 100-48-1 pyridine-4-carbonitrile 

Downstream Products

• 1608144-25-7 2-amino-2-(5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)furo[2,3-b]pyridin-2-yl)propane-1,3-diol 
• 1608146-70-8 5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-iodopyridin-2-ol 
• 1608146-72-0 tert-butyl N-(5-{5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]furo[2,3-b]pyridin-2-yl}-2,2-dimethyl-1,3-dioxan-5-yl)carbamate 

Relevant articles and documents

ORGANIC COMPOUNDS

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

Bifunctional catalysis of ester aminolysis - A computational and experimental study

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.