63069-50-1

Basic information

• Product Name: 3-Fluoro-4-aminobenzonitrile
• Synonyms: 4-AMINO-3-FLUOROBENZONITRILE;4-CYANO-2-FLUOROANILINE;3-FLUORO-4-AMINOBENZONITRILE;BUTTPARK 144\07-21;4-Amino-3-Fluorobenzonitrile 3-Fluoro-4-Aminobenzonitrile;4-Amino-3-fluorobenzonitrile 98%;4-Amino-3-fluorobenzonitrile98%;3-Fluoro-4-aminobenz
• CAS NO: 63069-50-1
• Molecular Formula: C₇H₅FN₂
• Molecular Weight: 136.13
• Product Categories: Amines;blocks;Carboxes;FluoroCompounds;Aromatic Nitriles;Fluorobenzonitrile Series
• Mol File: 63069-50-1.mol
• Article Data: 16

Chemical Properties

• Melting Point: 70-74
• Boiling Point: 264.2 °C at 760 mmHg
• Flash Point: 113.6 °C
• Appearance: /
• Density: 1.25 g/cm³
• Vapor Pressure: 5.28E-13mmHg at 25°C
• Refractive Index: 1.496
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 0.33±0.10(Predicted)
• CAS DataBase Reference: 3-Fluoro-4-aminobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-4-aminobenzonitrile(63069-50-1)
• EPA Substance Registry System: 3-Fluoro-4-aminobenzonitrile(63069-50-1)

Safety Data

• Hazard Codes: Xi,T
• Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• RIDADR: UN3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 63069-50-1(Hazardous Substances Data)

Usage

Description

3-Fluoro-4-aminobenzonitrile is an organic compound characterized by its off-white to brown crystalline appearance. It is a derivative of benzonitrile, featuring a fluorine atom at the 3rd position and an amino group at the 4th position, which contributes to its unique chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
3-Fluoro-4-aminobenzonitrile is used as a key intermediate in the synthesis of substituted 1,6-Naphthyridine inhibitors of CDK5 (Cyclin-Dependent Kinase 5). These inhibitors play a crucial role in the development of therapeutic agents for the treatment of various neurological disorders, such as Alzheimer's disease, Parkinson's disease, and other conditions associated with CDK5 dysregulation.
In the synthesis of these inhibitors, 3-Fluoro-4-aminobenzonitrile serves as a building block, providing the necessary structural features that enable the formation of the desired biologically active compounds. Its unique combination of fluorine and amino substituents allows for the creation of molecules with specific binding affinities and selectivity towards CDK5, making it a valuable component in the development of targeted therapies for neurological conditions.

InChI:InChI=1/C19H18F6O6S2/c1-13-3-7-15(8-4-13)32(26,27)30-11-17(20,21)19(24,25)18(22,23)12-31-33(28,29)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

Upstream product

• 29632-74-4 2-fluro-4-iodoaniline 
• 557-21-1 dicyanozinc 
• 544-92-3 copper(I) cyanide 
• 364082-48-4 3-fluoro-4-[(4-methoxybenzyl)amino]benzonitrile 
• 75-09-2 dichloromethane 
• 3556-52-3 3-fluoro-4-nitro-benzamide 
• 7439-89-6 iron 
• 121-44-8 triethylamine 
• 367-24-8 4-bromo-2-fluoroaniline 
• 105-56-6 ethyl 2-cyanoacetate 
• 218632-01-0 3-fluoro-4-nitrobenzonitrile 
• 64248-62-0 3,4-Difluorobenzonitrile 

Downstream Products

• 413599-60-7 N-7-benzyloxy-(4-cyano-2-fluorophenyl)-6-methoxy-4-quinazolinylamine 
• 330803-51-5 2-(3-fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (4-cyano-2-fluoro-phenyl)-amide 
• 849353-46-4 4-amino-3-fluoro-5-iodo-benzonitrile 
• 684270-97-1 3-fluoro-4-{[2-(3-fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carbonyl]-amino}-benzimidic acid methyl ester 
• 684270-98-2 3-fluoro-4-{[2-(3-fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carbonyl]-amino}-thiobenzimidic acid methyl ester 

Relevant articles and documents

Synthesis method of tedizolid phosphate intermediate 3-fluoro-4-bromoaniline

The invention provides a synthesis method of a tedizolid phosphate intermediate 3-fluoro-4-bromoaniline. The synthesis method comprises the following steps: (1) performing reacting of a compound 1 with ammonia gas to obtain a compound 2; (2) performing reacting of the compound 2 with hydrobromic acid to obtain a compound 3; and (3) reducing a cyano group in the compound 3 into an amino group to obtain a compound 4. The raw material adopted by the method is cheap and easy to obtain, and the method is mild in reaction condition, simple in equipment requirement, high in safety index and suitablefor large-scale commercial production. The yield of the tedizolid phosphate intermediate 3-fluoro-4-bromoaniline prepared by the process provided by the invention is up to 56.61% or above, the purityis up to 99.70% or above, and the content of isomer impurities in the product is as low as 0.17% or below. The invention provides the cheap and easily available high-quality intermediate for commercial production of tedizolid phosphate bulk drugs, and a wide application prospect is achieved.

NOVEL GPR119 AGONIST COMPOUNDS

The present invention relates to novel compounds of formula (I), process for preparation of the same and composition comprising these compounds.

Ethyl cyanoacetate: A new cyanating agent for the palladium-catalyzed cyanation of aryl halides

A new Pd-catalyzed cyanation reaction has been discovered using ethyl cyanoacetate as the cyanating reagent. A variety of electron-rich and electron-deficient aryl halides were efficiently converted into their corresponding nitriles in good to excellent yields.