1218790-53-4

Basic information

• Product Name: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
• Synonyms: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole;1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester;1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole;1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester >=97%
• CAS NO: 1218790-53-4
• Molecular Formula: C₁₁H₁₆BF₃N₂O₂
• Molecular Weight: 276.06
• Mol File: 1218790-53-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 99-100°C
• Boiling Point: 324.6±42.0 °C(Predicted)
• Appearance: /
• Density: 1.21±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -0.87±0.10(Predicted)
• CAS DataBase Reference: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole(1218790-53-4)
• EPA Substance Registry System: 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole(1218790-53-4)

Safety Data

• Hazardous Substances Data: 1218790-53-4(Hazardous Substances Data)

Usage

Uses

Useful boronic acid pinacol ester for synthesis of various bioactive small molecules. This product was previously listed as BML00234.

Upstream product

• 61676-62-8 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 497832-99-2 4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole 

Relevant articles and documents

Method for preparing heterocyclic small molecule compound

The invention belongs to the field of medical chemistry, particularly belongs to the field of organic synthesis in medical chemistry, and more particularly relates to a preparation method of a heterocyclic small molecule compound. According to the preparation method, vinyl ethyl ether is used as a raw material, and a target compound, trifluoromethylpyrazole borate, is obtained through four steps.The product is an important building block in drug research, development and synthesis, and the industrial preparation method of the product can provide guarantee for subsequent in-depth research anddevelopment. Therefore, the invention is beneficial to research and development of related drug synthesis.