1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester - Names and Identifiers

Name	1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester
Synonyms	1-BENZYL- 4-PYRAZOLEBORONIC ACID PINACOL ESTER 1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester 1-benzyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-benzyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyra 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-(PhenylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1H-Pyrazole, 1-(phenylMethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- 1-Benzyl-4-pyrazole boronic acid pinacol ester, 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, {[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]methyl}benzene
CAS	761446-45-1
EINECS	671-685-7
InChI	InChI=1/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3
InChIKey	ZVPORPUUZXIPEF-UHFFFAOYSA-N

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester - Physico-chemical Properties

Molecular Formula	C16H21BN2O2
Molar Mass	284.16
Density	1.07±0.1 g/cm3(Predicted)
Melting Point	86-90°C(lit.)
Boling Point	427.9±28.0 °C(Predicted)
Flash Point	212.6°C
Water Solubility	Insoluble
Vapor Presure	3.93E-07mmHg at 25°C
Appearance	solid
Color	white to yellow
pKa	1.85±0.10(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.542
MDL	MFCD03789252

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R23 - Toxic by inhalation R22 - Harmful if swallowed
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/38 -
WGK Germany	3
TSCA	No
HS Code	29331990
Hazard Note	Irritant

1-Benzyl-1H-pyrazole-4-boronic acid pinacol ester - Reference Information

Application

1-benzyl-1h-pyrazole-4-boronic acid cyanohydrin Ester has considerable prospects as pharmaceutical intermediates and pesticide intermediates.

preparation

in a three-port reaction bottle with a feeding leak, add the tetrahydrofuran solution, start the stirring device, 1-benzyl-4-iodo-1h-pyrazole and phanol borane were added to i-PrMgCl of tetrahydrofuran, the reaction solution was cooled to -10 °c, and Grignard reagent (0.350mol) was slowly added dropwise. The tetrahydrofuran solution was added to 175ml, and the mixture was subjected to a reaction at room temperature for 12 hours. 300ml of aqueous ammonium chloride solution was added to the reaction solution, stirred for 30 minutes, then 400ml of ethyl acetate was added, the organic layer was separated, dried, evaporated, and the residue was recrystallized from ethanol with a volume fraction of 20%, the product 1-benzyl-1h-pyrazol-4-cyanohydrin boronic acid ester was obtained.

Last Update：2024-04-09 20:45:29