1H-Pyrazole-4-boronic acid

Base Information

• Chemical Name: 1H-Pyrazole-4-boronic acid
• CAS No.: 763120-58-7
• Molecular Formula: C₃H₅BN₂O₂
• Molecular Weight: 111.896
• Hs Code.: 2933199090
• European Community (EC) Number: 624-632-7
• UNII: E2Y8DF7S4H
• DSSTox Substance ID: DTXSID30590409
• Nikkaji Number: J2.936.037E
• Wikidata: Q72503416
• Mol file: 763120-58-7.mol

Synonyms:1H-Pyrazole-4-boronic acid;763120-58-7;1H-pyrazol-4-ylboronic acid;4-PYRAZOLEBORONIC ACID;Pyrazole-4-boronic acid;(1H-pyrazol-4-yl)boronic acid;PYRAZOL-4-YLBORONIC ACID;MFCD07368251;1H-Pyrazole-4-boronic acid(contains varying amounts of Anhydride);1H-Pyrazol-4-yl-4-boronic acid;Boronic acid, 1H-pyrazol-4-yl-;1H-Pyrazole-4-boronicacid;4-pyrazole boronic acid;4-pyrazolyl boronic acid;1H-pyrazol-4-boronic acid;E2Y8DF7S4H;1H-pyrazole-4-ylboronic acid;SCHEMBL155841;1h-pyrazol-4-yl boronic acid;DTXSID30590409;KEZNMOUMHOZFRA-UHFFFAOYSA-N;BCP12527;Boronic acid, B-1H-pyrazol-4-yl-;BBL102337;STL556137;AKOS005257947;CS-W000966;GS-5698;PB30888;1H-Pyrazole-4-boronic acid, >=95.0%;AC-27323;AM804332;SY005161;DB-015111;A9668;P2478;EN300-107801;4-Pyrazoleboronic Acid;J-504717;1H-Pyrazole-4-boronic Acid (contains varying amounts of Anhydride)

Chemical Property of 1H-Pyrazole-4-boronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 146-151 °C
• Refractive Index: 1.543
• Boiling Point: 430.353 °C at 760 mmHg
• PKA: 7.67±0.10(Predicted)
• Flash Point: 214.07 °C
• PSA: 69.14000
• Density: 1.41 g/cm³
• LogP: -1.91050
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 112.0444076
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

99% ^*data from raw suppliers

1H-Pyrazole-4-boronic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CNN=C1)(O)O
• Uses: 1H-Pyrazole-4-boronic Acid is a reagent for the preparation of dimethyl-dihydroquinazolinones as protein kinase C-θ (PKCθ) inhibitors. It also functions as a reagent for the preparation of dihydroquinazolinones as inhibitors of Trypanosoma brucei.

Technology Process of 1H-Pyrazole-4-boronic acid

There total 2 articles about 1H-Pyrazole-4-boronic acid 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: 72.0%

Triisopropyl borate (5419-55-6) + 4-iodo-1-(triisopropylsilyl)-1H-pyrazole → 1H-pyrazole-4-boronic acid (763120-58-7)

Guidance literature:

With n-butyllithium; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield: 72.0%

Triisopropyl borate (5419-55-6) + 4-bromo-1-(triisopropylsilyl)-1H-pyrazole → 1H-pyrazole-4-boronic acid (763120-58-7)

Guidance literature:

With n-butyllithium; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield: 87.0%

1H-pyrazole-4-boronic acid (763120-58-7) + cyclohexenone (930-68-7) → 3-(1H-pyrazol-4-yl)cyclohexan-1-one

Guidance literature:

With C₄₀H₅₀I₄N₈Rh₂; dimethyl amine; In methanol; water; at 80 ℃; for 7h; Green chemistry;

DOI:10.1016/j.tetlet.2014.09.107

upstream raw materials:

Triisopropyl borate

Downstream raw materials:

C₂₁H₂₂N₆O₂

5-(2-chloro-4-(1H-pyrazol-4-yl)phenyl)-1,3,4-thiadiazol-2-amine

C₂₈H₂₂FN₅O₃

Refernces