1H-Pyrazole-1-ethanol, β,β-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl-

Base Information

• Chemical Name: 1H-Pyrazole-1-ethanol, β,β-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl-
• CAS No.: 1040377-18-1
• Molecular Formula: C13H23BN2O3
• Molecular Weight: 266.148
• Mol file: 1040377-18-1.mol

Synonyms:1H-Pyrazole-1-ethanol, β,β-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl-;2-methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol;2-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-1-ol

Chemical Property of 1H-Pyrazole-1-ethanol, β,β-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl-

Chemical Property:

• Boiling Point: 392.0±22.0 °C(Predicted)
• PKA: 14.33±0.10(Predicted)
• PSA: 56.51000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 0.90970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-1-ethanol, β,β-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl-

There total 3 articles about 1H-Pyrazole-1-ethanol, β,β-diMethyl-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: 59.0%

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate (1201657-32-0) → 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-yl)propan-1-ol (1040377-18-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

Reference yield: 45.0%

2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-1-ol (877401-11-1) + bis(pinacol)diborane (73183-34-3) → 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-yl)propan-1-ol (1040377-18-1)

Guidance literature:

2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-1-ol; bis(pinacol)diborane; With potassium acetate; In N,N-dimethyl-formamide; for 0.166667h;

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

pyrazole-4-boronic acid pinacol ester (269410-08-4) → 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-yl)propan-1-ol (1040377-18-1)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / N,N-dimethyl-formamide / 18 h / 20 °C

2: sodium tetrahydroborate; methanol / 48 h / 20 °C

With methanol; sodium tetrahydroborate; caesium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-1-ol

bis(pinacol)diborane

pyrazole-4-boronic acid pinacol ester

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

Downstream raw materials:

2-(4-{5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-6-methyl-pyridin-3-yl}-pyrazol-1-yl)-2-methyl-propan-1-ol

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