1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-

Base Information

• Chemical Name: 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
• CAS No.: 879487-10-2
• Molecular Formula: C12H21BN2O2
• Molecular Weight: 236.122
• Hs Code.: 2934999090
• Mol file: 879487-10-2.mol

Synonyms:1-isopropylpyrazole-4-boronic acid pinacol ester;1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester;

Chemical Property of 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 36-44°C
• Boiling Point: 327.3±15.0 °C(Predicted)
• PKA: 2.13±0.10(Predicted)
• Flash Point: >110℃
• PSA: 36.28000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 1.76320
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropylpyrazole-4-boronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Isopropylpyrazole-4-boronic acid, pinacol ester 1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester can be used as a reactant to synthesize:Imidazo[1,2-a]pyrazine based phosphodiesterase 10A inhibitors.Pyrido[3,4-d]pyrimidin-4-(3H)-one based KDM4 and KDM5 (histone lysine demethylase families) inhibitors.

Technology Process of 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-

There total 5 articles about 1H-Pyrazole, 1-(1-Methylethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-iodo-propane (75-30-9) + pyrazole-4-boronic acid pinacol ester (269410-08-4) → 1-isopropylpyrazole-4-boronic acid pinacol ester (879487-10-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jm2007613

Reference yield: 67.0%

4-bromo-1-(propan-2-yl)-1H-pyrazole (313735-62-5) + bis(pinacol)diborane (73183-34-3) → 1-isopropylpyrazole-4-boronic acid pinacol ester (879487-10-2)

Guidance literature:

With palladium (II) [1,1'-bis(diphenylphosphanyl)ferrocene] dichloride; anhydrous potassium acetate; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere; Sealed tube;

Reference yield: 63.0%

→ 1-isopropylpyrazole-4-boronic acid pinacol ester (879487-10-2)

Guidance literature:

upstream raw materials:

2-iodo-propane

pyrazole-4-boronic acid pinacol ester

isopropyl bromide

4-bromo-1-(propan-2-yl)-1H-pyrazole