1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER

Base Information

• Chemical Name: 1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER
• CAS No.: 1071496-88-2
• Molecular Formula: C12H21BN2O2
• Molecular Weight: 236.122
• Hs Code.: 2934999090
• Mol file: 1071496-88-2.mol

Synonyms:1-Isopropylpyrazole-4-boronic acid, pinacol ester;1-(1-methylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole;

Chemical Property of 1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 327.26 °C at 760 mmHg
• PKA: 2.27±0.10(Predicted)
• Flash Point: 151.722 °C
• PSA: 36.28000
• Density: 1.037 g/cm³
• LogP: 1.76320
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1{H}-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER

There total 1 articles about 1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER 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:

2-iodo-propane (75-30-9) + 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (844501-71-9,1086111-17-2) → 1-(propan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1071496-88-2)

Guidance literature:

3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

2-iodo-propane; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

Reference yield: 54.0%

1-(propan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1071496-88-2) + 3-bromo-4-(2,6-difluoro-4-nitrophenoxy)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine → 4-(2,6-difluoro-4-nitrophenoxy)-3-[1-(propan-2-yl)-1H-pyrazol-3-yl]-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 100 ℃; for 3h; Inert atmosphere;

Reference yield: 52.1%

1-(propan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1071496-88-2) + N-(5-(6-bromo-3H-imidazo[4,5-b]pyridin-3-yl)-2',4'-difluoro-[1,1'-biphenyl]-3-yl)ethanesulfonamide → N-(2',4'-difluoro-5-(6-(1-isopropyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl)-[1,1'-biphenyl]-3-yl)ethanesulfonamide

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2-iodo-propane

3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole

Refernces

• 1、 -. "QUINOLINES AND THEIR THERAPEUTIC USE". Page/Page column 51-52. . Retrieved 2008/12/04.