1002334-06-6

Basic information

• Product Name: 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• Synonyms: 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• CAS NO: 1002334-06-6
• Molecular Formula: C₁₆H₂₁BN₂O₂
• Molecular Weight: 284
• Mol File: 1002334-06-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 423.4±33.0 °C(Predicted)
• Appearance: /
• Density: 1.07±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.56±0.10(Predicted)
• CAS DataBase Reference: 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1002334-06-6)
• EPA Substance Registry System: 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(1002334-06-6)

Safety Data

• Hazardous Substances Data: 1002334-06-6(Hazardous Substances Data)

Usage

General Description

1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a chemical compound with a complex molecular structure. It is a pyrazole derivative that contains a boron-containing functional group. The compound is used in various research and industrial applications, including as a building block in the synthesis of pharmaceuticals and agrochemicals. It has been investigated for its potential biological activities and has shown promise as a potential therapeutic agent. Its unique structure and reactivity make it a valuable tool in organic synthesis and chemical research.

InChI:InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)13-11-19(5)18-14(13)12-9-7-6-8-10-12/h6-11H,1-5H3

Upstream product

• 6939-12-4 N-methylsydnone 
• 159087-45-3 4,4,5,5-tetramethyl-2-phenylethynyl-[1,3,2]dioxaborolane 
• 13808-65-6 4-bromo-3(5)-phenyl-1H-pyrazole 

Relevant articles and documents

NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF

A compound represented by Formula [1] (in the formula, Z1 represents N, CH, or the like; X1 represents NH or the like; R1 represents a heteroaryl group or the like; each of R2, R3, and R4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R5 represents a heteroaryl group or the like) or salt thereof.

A sydnone cycloaddition route to pyrazole boronic esters

(Chemical Equation Presented) From dipole to diazole! A direct and regioselective route to functionalized pyrazole boronic esters is developed that employs the cycloaddition of alkynylboronates with sydnones. Functionalization of these products by Suzuki coupling and N-deprotection processes highlight the potential synthetic utility of these species.