(1-Phenyl-1H-pyrazol-4-yl)boronic acid

Base Information

• Chemical Name: (1-Phenyl-1H-pyrazol-4-yl)boronic acid
• CAS No.: 1201643-70-0
• Molecular Formula: C9H9BN2O2
• Molecular Weight: 187.994
• Hs Code.: 2933199090
• European Community (EC) Number: 874-519-3
• DSSTox Substance ID: DTXSID10655565
• Wikidata: Q82569749
• Mol file: 1201643-70-0.mol

Synonyms:1201643-70-0;(1-Phenyl-1H-pyrazol-4-yl)boronic acid;1-PHENYLPYRAZOLE-4-BORONIC ACID;(1-phenylpyrazol-4-yl)boronic acid;1-PHENYL-1H-PYRAZOLE-4-BORONIC ACID;(1-PHENYL-1H-PYRAZOL-4-YL)BORONICACID;SCHEMBL12266089;DTXSID10655565;CHEBI:188574;AMY32940;MFCD11044914;AKOS009317882;1-PHENYLPYRAZOL-4-BORONIC ACID;AB62962;DS-18063;CS-0029533;FT-0706815;EN300-261667;I12047;Boronic acid, B-(1-phenyl-1H-pyrazol-4-yl)-;A925700;Z381541098

Chemical Property of (1-Phenyl-1H-pyrazol-4-yl)boronic acid

Chemical Property:

• Boiling Point: 393.1±34.0 °C(Predicted)
• PKA: 7.44±0.10(Predicted)
• PSA: 58.28000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: -0.44790
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0757077
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

1-Phenylpyrazole-4-boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CN(N=C1)C2=CC=CC=C2)(O)O

Technology Process of (1-Phenyl-1H-pyrazol-4-yl)boronic acid

There total 2 articles about (1-Phenyl-1H-pyrazol-4-yl)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: 89.0%

1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1002334-12-4) → (1-phenyl-1H-pyrazol-4-yl)boronic acid (1201643-70-0)

Guidance literature:

With sodium periodate; ammonium acetate; In water; acetone; at 20 ℃;

Reference yield:

4-bromo-1-phenyl-1H-pyrazole (15115-52-3) → (1-phenyl-1H-pyrazol-4-yl)boronic acid (1201643-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / dimethyl sulfoxide / 20 - 80 °C

2: sodium periodate; ammonium acetate / water; acetone / 20 °C

With sodium periodate; ammonium acetate; potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In water; dimethyl sulfoxide; acetone;

Reference yield: 87.0%

(1-phenyl-1H-pyrazol-4-yl)boronic acid (1201643-70-0) + C30H27BrN4O3 → C39H34N6O3

Guidance literature:

C₃₀H₂₇BrN₄O₃; With bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 90 - 100 ℃;

(1-phenyl-1H-pyrazol-4-yl)boronic acid; With sodium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 2h;

upstream raw materials:

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

4-bromo-1-phenyl-1H-pyrazole

Downstream raw materials:

C₂₄H₂₀N₆O₂

5-(1-phenyl-1H-pyrazol-4-yl)-2-(1H-pyrazol-1-yl)pyrimidin-4-ol

C₂₂H₂₀FN₅O₂S₂

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