1-Ethyl-1H-pyrazole-4-boronic acid pinacol

1-Ethyl-1H-pyrazole-4-boronic acid pinacol - Names and Identifiers

Name	1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Synonyms	1-Eth 1-Ethyl-1H-pyrazole-4-boronic acid pinacol 1-Ethylpyrazole-4-boronic Acid Pinacol Ester 1-Ethyl-1H-pyrazole-4-boronic acid, pinacol ester 1-Ethyl-1H-Pyrazole-4-Boronic Acid, Pinacol Ester 1-ethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1H-Pyrazole, 1-ethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (1-ethyl-1H-pyrazol-4-yl)boronate
CAS	847818-70-6
InChI	InChI=1/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChIKey	UGCRHVPUHAXAAE-UHFFFAOYSA-N

1-Ethyl-1H-pyrazole-4-boronic acid pinacol - Physico-chemical Properties

Molecular Formula	C11H19BN2O2
Molar Mass	222.09
Density	1.04±0.1 g/cm3(Predicted)
Melting Point	44-49°C
Boling Point	322.6±15.0 °C(Predicted)
Flash Point	148.9°C
Vapor Presure	0.000522mmHg at 25°C
pKa	2.11±0.10(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index	1.48

1-Ethyl-1H-pyrazole-4-boronic acid pinacol - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3

1-Ethyl-1H-pyrazole-4-boronic acid pinacol - Introduction

1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is an organic compound with the formula C12H17BN2O3 and a relative molecular mass of 244.09. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance: Colorless to light yellow liquid
-Solubility: Soluble in common organic solvents, such as alcohols, ethers, chlorinated hydrocarbons
-Melting point: approximately -27°C
-Boiling point: about 275°C
-Density: about 1.08 g/mL
-Stability: stable, but spontaneous combustion may occur in the presence of oxygen

Use:
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a wide range of applications in chemical research and industry, including:
-As an organic synthesis intermediate for the synthesis of other organic compounds
-for catalysts, complexing reagents and ligands for Cu(I) and Au(I)
-Used as a building block for active molecules in drug development

Preparation Method:
The synthesis method of 1-ethyl-4-(4,4, 5,5-tetraethyl-1, 3,2-dioxaborolan-2-yl)-1H-pyrazole is generally as follows:
First, 4,4,5,5-tetramethyl -1,3, 2-dioxaborole cyclopentane, 1-ethyl -1H-pyrazole and an organic base (such as triethylamine) are reacted to form 1-ethyl -4-(4,4,5,5-tetramethyl -1,3, 2-dioxaborole cyclopentyl)-1H-pyrazole. Then, the target product is obtained by esterification with hydrofluoric acid.

Safety Information:
Note the following when using and storing:
-This compound is irritating to the skin, eyes and respiratory tract, avoid skin contact and inhalation
-When heated or in contact with oxygen, spontaneous combustion may occur. Keep away from fire and high temperature
-Store in a cool, dry, well-ventilated place
-Must comply with relevant laboratory safety practices and wear personal protective equipment

Last Update：2024-04-09 19:05:52