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

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

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole serves as a key building block in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and reactivity contribute to the development of novel compounds with potential therapeutic and pesticidal properties.
Used in Organic Synthesis:
In the realm of organic synthesis, 1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is utilized as a versatile intermediate. Its boron-containing functional group allows for a range of synthetic transformations, facilitating the creation of diverse chemical entities for research and development purposes.
Used in Chemical Research:
As a chemical research tool, 1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is employed to explore its potential biological activities. Studies on this compound have shown promise in various areas, including its potential as a therapeutic agent. Its unique properties make it an intriguing subject for further investigation in the scientific community.

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

• 159087-45-3 4,4,5,5-tetramethyl-2-phenylethynyl-[1,3,2]dioxaborolane 
• 6939-12-4 N-methylsydnone 
• 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.

Investigation of the scope and regiochemistry of alkynylboronate cycloadditions with sydnones

The cycloaddition of alkynylboronates and sydnones provides a convenientand highly regioselective method for the synthesis of a broad range of di-, tri-, and tetrasubstituted pyrazole boronic esters. The origins of an observed regiochemical divergence in the reactions of terminal alkyny lboronates with their more substituted analogues have been studied by DFT methods.

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.