775351-57-0

Basic information

• Product Name: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
• Synonyms: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER;Bm369;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;Benzonitrile, 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-fluoro-5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;3-Cyano-4-fluorobenzeneboronic acid pinacol ester, 96%;5-Cyano-2-fluorobenzeneboronic acid pinacol ester, 96%
• CAS NO: 775351-57-0
• Molecular Formula: C₁₃H₁₅BFNO₂
• Molecular Weight: 247.07
• Product Categories: Aryl;Organoborons
• Mol File: 775351-57-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 75-76℃
• Boiling Point: 334.5 °C at 760 mmHg
• Flash Point: 156.1 °C
• Appearance: /Solid
• Density: 1.12 g/cm³
• Vapor Pressure: 0.000128mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER(775351-57-0)
• EPA Substance Registry System: 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER(775351-57-0)

Safety Data

• Hazardous Substances Data: 775351-57-0(Hazardous Substances Data)

Usage

Description

3-Cyano-4-fluorophenylboronic acid, pinacol ester is a boronic acid derivative with the molecular formula C13H14BCFNO3. It is a versatile reagent in organic synthesis, known for its ability to participate in palladium-catalyzed cross-coupling reactions. Its pinacol ester functionality provides stability and increased solubility, making it a valuable tool in drug discovery and development. 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER is commonly used as a building block for the preparation of various pharmaceuticals and agrochemicals, with a wide range of applications in the chemical and pharmaceutical industries.

Uses

Used in Pharmaceutical Industry:
3-Cyano-4-fluorophenylboronic acid, pinacol ester is used as a building block for the synthesis of various pharmaceuticals. Its ability to participate in palladium-catalyzed cross-coupling reactions allows for the creation of diverse and complex molecular structures, contributing to the development of new and effective drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 3-Cyano-4-fluorophenylboronic acid, pinacol ester serves as a key intermediate in the synthesis of agrochemicals. Its versatility in organic synthesis enables the production of a variety of compounds with potential applications in crop protection and pest control.
Used in Organic Synthesis:
3-Cyano-4-fluorophenylboronic acid, pinacol ester is used as a versatile reagent in organic synthesis. Its pinacol ester functionality provides stability and increased solubility, making it an ideal starting material for the preparation of various organic compounds. 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER can be employed in the synthesis of a wide range of molecules, including those with potential applications in materials science, chemical research, and other specialized fields.
Used in Drug Discovery and Development:
3-Cyano-4-fluorophenylboronic acid, pinacol ester is utilized as a valuable tool in drug discovery and development. Its ability to participate in palladium-catalyzed cross-coupling reactions allows for the creation of novel and complex molecular structures with potential therapeutic properties. 3-CYANO-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER plays a crucial role in the design and synthesis of new drug candidates, contributing to the advancement of pharmaceutical research.

InChI:InChI=1/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16/h5-7H,1-4H3

Upstream product

• 351003-36-6 2-fluoro-5-iodobenzonitrile 
• 73183-34-3 bis(pinacol)diborane 
• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 

Downstream Products

• 1356225-22-3 DMX-A 
• 1356226-84-0 5-(2-chloro-pyrimidin-4-yl)-2-pyrrolidin-1-yl-benzonitrile 
• 1356225-62-1 pyrrolidine-1-carboxylic acid-{3-[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-ylamino]phenyl}amide 
• 1351502-30-1 2-pyrrolidin-1-yl-5-(4,4,5, 5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile 
• 1269406-99-6 1,1-dimethylethyl {(1S)-1-[({(3S)-1-[2-cyano-4-(2-pyrimidinyl)phenyl]-3-pyrrolidinyl}amino)carbonyl]propyl}carbamate 
• 1269406-98-5 2-[(3S)-3-amino-1-pyrrolidinyl]-5-(2-pyrimidinyl)benzonitrile hydrochloride 
• 1269406-97-4 1,1-dimethylethyl {(3S)-1-[2-cyano-4-(2-pyrimidinyl)phenyl]-3-pyrrolidinyl}carbamate 
• 1269406-95-2 1,1-dimethylethyl {(1S)-1-[({(3S)-1-[2-cyano-4-(1,3-thiazol-2-yl)phenyl]-3-pyrrolidin-yl}amino)carbonyl]propyl}carbamate 
• 1269406-94-1 2-[(3S)-3-amino-1-pyrrolidinyl]-5-(1,3-thiazol-2-yl)benzonitrile hydrochloride 
• 1269406-93-0 1,1-dimethylethyl {(3S)-1-[2-cyano-4-(1,3-thiazol-2-yl)phenyl]-3-pyrrolidinyl}carbamate 
• 1269408-30-1 (2S)-2-amino-N-{(3S)-1-[2-cyano-4-(2-pyrimidinyl)phenyl]-3-pyrrolidinyl}butanamide hydrochloride 
• 1269408-29-8 (2S)-1-amino-N-{(3S)-1-[2-cyano-4-(1,3-thiazol-2-yl)phenyl]-3-pyrrolidinyl}butanamide hydrochloride 
• 1269406-96-3 2-fluoro-5-(2-pyrimidinyl)benzonitrile 
• 1221541-31-6 C₃₀H₃₂F₄N₄O₄S 

Relevant articles and documents

COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME

The present invention relates to a compound represented by chemical formula 1 and to an organic light-emitting device comprising the same, wherein the compound is used in the organic light-emitting device to lower driving voltage and improve light efficie

Triggering Thermally Activated Delayed Fluorescence by Managing the Heteroatom in Donor Scaffolds: Intriguing Photophysical and Electroluminescence Properties

Establishment of the structure–property relationships of thermally activated delayed fluorescence (TADF) materials has become a significant quest for the scientific community. Herein, two new donors, 10H-benzofuro[3,2-b]indole (BFI) and 10H-benzo[4,5]thie

TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF

The present invention relates to compounds of Formula I and pharmaceutically acceptable compositions thereof, useful as TBK/IKKε inhibitors.