685103-98-4

685103-98-4 - Names and Identifiers

Name	4-Isoquinolineboronic acid pinacol ester
Synonyms	2-dioxaborolan-2-yl)-isoquinoline 4-Isoquinolineboronic acid pinacol ester 4-ISOQUINOLINEBORONIC ACID, PINACOL ESTER ISOQUINOLINE-4-BORONIC ACID, PINACOL ESTER 4-(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-dioxaborolan-2-yl)isoquinoline 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOQUINOLINE 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline 2-(4-Isoquinolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneIsoquinoline-4-boronic Acid Pinacol Ester
CAS	685103-98-4
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

685103-98-4 - Physico-chemical Properties

Molecular Formula	C15H18BNO2
Molar Mass	255.12
Density	1.10±0.1 g/cm3(Predicted)
Melting Point	98-102 °C (lit.)
Boling Point	397.5±15.0 °C(Predicted)
Flash Point	194.2°C
Vapor Presure	3.62E-06mmHg at 25°C
Appearance	powder to crystal
Color	White to Light yellow
pKa	5.30±0.10(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index	1.558
MDL	MFCD05663891

685103-98-4 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3

685103-98-4 - Introduction

4-Isoquinolineboronic acid pinacol ester is an organic compound with the chemical formula C16H19BO2N.

Its properties are as follows:
1. Appearance: colorless or light yellow crystalline powder.
2. Melting point: about 72-75°C.
3. solubility: soluble in common organic solvents (such as chloroform, dimethylformamide, etc.), slightly soluble in water.

Its main uses are:
1. as an organic synthesis intermediate: 4-Isoquinolineboronic acid pinacol ester can be used to prepare other compounds, such as fluorescent dyes, drug molecules, etc.
2. for organometallic chemistry research: as an introducing agent for boronic acid groups, it can be used to synthesize complexes with boronic acid groups.

Preparation Method:
The preparation of 4-Isoquinolineboronic acid pinacol ester usually involves the reaction of 4-isoquinoline with boronic acid pinacol aldehyde. The specific steps include reacting 4-isoquinoline with boronic acid pinacol aldehyde in an organic solvent (such as tetraacetate), and heating and stirring under appropriate conditions to obtain the target product.

Safety Information:
4-Isoquinolineboronic acid pinacol ester is generally relatively safe under normal operating conditions, but the following matters still need to be paid attention:
1. Dress: Wear appropriate protective glasses, gloves and lab coat.
2. Operating environment: Operate in a well-ventilated laboratory to avoid inhalation of dust or contact with skin.
3. food and drinking water: operation should pay attention to avoid eating or drinking by mistake.
4. storage and disposal: should be stored away from the fire and flammable materials. Waste should be disposed of properly in accordance with local regulations.

Last Update：2024-04-09 19:05:51