4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline - Names and Identifiers
Name | 4-Isoquinolineboronic acid pinacol ester
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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
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CAS | 685103-98-4
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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 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline - Physico-chemical Properties
Molecular Formula | C15H18BNO2
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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 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline - Risk and Safety
Hazard Symbols | Xi - Irritant
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Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin.
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Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36 - Wear suitable protective clothing.
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WGK Germany | 3 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)isoquinoline - 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