777063-41-9

Basic information

• Product Name: 1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
• Synonyms: 1-(3-METHYLBUTYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER;1-Isopentylpyrazole-4-boronic acid, pinacol ester;1-Isopentyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• CAS NO: 777063-41-9
• Molecular Formula: C₁₄H₂₅BN₂O₂
• Molecular Weight: 264.17
• Mol File: 777063-41-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 173.2°C
• Appearance: /
• Density: 1.01g/cm³
• Vapor Pressure: 3.94E-05mmHg at 25°C
• Refractive Index: 1.5
• Storage Temp.: 2-8°C
• PKA: 2.11±0.10(Predicted)
• CAS DataBase Reference: 1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER(777063-41-9)
• EPA Substance Registry System: 1-(3-METHYLBUTYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER(777063-41-9)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 777063-41-9(Hazardous Substances Data)

Usage

General Description

1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid, pinacol ester is a chemical compound belonging to the category of boronic acids and boronic acid related compounds. It is typically used in various fields of analytical and organic chemistry, especially in Suzuki coupling type reactions. This chemical is known for its role as a reagent in the synthesis of molecular structures. Characteristics of this compound include its clear, colorless appearance and its solid state at room temperature. Being an ester, it is a derivative of boric acid with potential use in pharmaceutical applications. As with many chemicals, it requires careful handling due to its flammable and potentially harmful nature.

InChI:InChI=1/C14H25BN2O2/c1-11(2)7-8-17-10-12(9-16-17)15-18-13(3,4)14(5,6)19-15/h9-11H,7-8H2,1-6H3

Upstream product

• 269410-08-4 pyrazole-4-boronic acid pinacol ester 
• 107-82-4 i-pentyl bromide 
• 847818-48-8 4-bromo-1-(3-methylbutyl)-1H-pyrazole 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 847818-58-0 1-(3-methylbutyl)-1H-pyrazol-4-ylboronic acid 

Downstream Products

• 777063-42-0 1-(3-methylbutyl)-4-(4-methylphenyl)-1H-pyrazole 
• 1224212-82-1 4-(5-(2-amino-5-(1-isopentyl-1H-pyrazol-4-yl)pyridin-3-yl)-1H-tetrazol-1-yl)-2,3-difluorophenol 
• 777063-40-8 4-(4-metoxyphenyl)-1-(3-methylbutyl)-1H-pyrazole 

Relevant articles and documents

N-sulfonylanthranilic acid derivatives as allosteric inhibitors of dengue viral RNA-dependent RNA polymerase

A novel class of compounds containing N-sulfonylanthranilic acid was found to specifically inhibit dengue viral polymerase. The structural requirements for inhibition and a preliminary structure-activity relationship are described. A UV cross-linking experiment was used to map the allosteric binding site of the compound on the viral polymerase.