685103-98-4

Basic information

• Product Name: 4-Isoquinolineboronic acid pinacol ester
• Synonyms: ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER;4-ISOQUINOLINEBORONIC ACID, PINACOL ESTER;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE;2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline;2-dioxaborolan-2-yl)-isoquinoline;4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Isoquinoline-4-boronic Acid Pinacol Ester
• CAS NO: 685103-98-4
• Molecular Formula: C₁₅H₁₈BNO₂
• Molecular Weight: 255.12
• Product Categories: Heterocyclic Compounds;B (Classes of Boron Compounds);Boronic Acids Esters
• Mol File: 685103-98-4.mol
• Article Data: 0

Chemical Properties

• Melting Point: 98-102 °C(lit.)
• Boiling Point: 397.5 °C at 760 mmHg
• Flash Point: 194.2 °C
• Appearance: /
• Density: 1.1 g/cm³
• Vapor Pressure: 3.62E-06mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 5.30±0.10(Predicted)
• CAS DataBase Reference: 4-Isoquinolineboronic acid pinacol ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Isoquinolineboronic acid pinacol ester(685103-98-4)
• EPA Substance Registry System: 4-Isoquinolineboronic acid pinacol ester(685103-98-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 685103-98-4(Hazardous Substances Data)

Usage

General Description

4-Isoquinolineboronic acid pinacol ester is a boronic acid derivative that is commonly used in organic synthesis. It contains an isoquinoline ring and a boronic acid group, making it a versatile building block for the construction of various molecular structures. As a pinacol ester, it is particularly stable and easy to handle, making it a useful reagent in the formation of carbon-carbon and carbon-heteroatom bonds in the synthesis of complex organic compounds. Its unique structure and reactivity make it a valuable tool in the development of new pharmaceuticals, agrochemicals, and materials.

InChI:InChI=1/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3

Downstream Products

• 1141508-46-4 1-cyclohexyl-3-(fluorocarbonyl)-2-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-imidazo[2,1-a]isoquinolin-4-ium-3-ide 
• 1196-39-0 4-methylisoquinoline 
• 1323916-53-5 2-(5-chloro-2-fluoro-phenyl)-4-isoquinolin-4-yl-quinoline 
• 1323916-58-0 2-(5-chloro-2-fluoro-phenyl)-4-isoquinolin-4-yl-[1,8]naphthyridine 
• 1237518-51-2 tert-butyl 4-(isoquinolin-4-yl)-2-nitrobenzoate 
• 1375143-33-1 4-(1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)isoquinoline 
• 55270-33-2 4-iodo-isoquinoline 
• 1428879-93-9 7-(isoquinolin-4-yl)-3-phenylbenzo[d]isoxazole 
• 1428882-31-8 C₁₆H₉FN₂ 
• 1428879-98-4 3-(4-fluorophenyl)-7-(isoquinolin-4-yl)benzo[d]isoxazole 
• 20317-40-2 methyl isoquinoline-4-carboxylate