1H-Pyrazol-3-ylboronic acid

Base Information

• Chemical Name: 1H-Pyrazol-3-ylboronic acid
• CAS No.: 376584-63-3
• Molecular Formula: C₃H₅BN₂O₂
• Molecular Weight: 111.896
• Hs Code.: 2933199090
• European Community (EC) Number: 670-423-9
• ChEMBL ID: CHEMBL2071020
• DSSTox Substance ID: DTXSID30460052
• Nikkaji Number: J3.563.362F
• Wikidata: Q72503421
• Mol file: 376584-63-3.mol

Synonyms:376584-63-3;(1H-Pyrazol-3-yl)boronic acid;Pyrazole-3-boronic acid;1H-Pyrazol-3-ylboronic acid;1H-Pyrazole-3-Boronic Acid;(1H-pyrazol-5-yl)boronic acid;1H-pyrazol-5-ylboronic acid;1H-PYRAZOLE-5-BORONIC ACID;1239363-47-3;1H-Pyrazol-3-yl boronic acid;724710-02-5;1H-pyrazol-5-yl-5-boronic acid;pyrazol-3-ylboronic acid;(1H-Pyrazol-5-yl)boronicacid;CHEMBL2071020;MFCD07368247;Boronic acid, 1H-pyrazol-3-yl-;pyrazole-3-boronic;pyrazoleboronic acid;pyrazole boronic acid;3-Pyrazoleboronicacid;3-pyrazole boronic acid;5-pyrazole boronic acid;pyrazole-5-boronic acid;3-Pyrazole-boronic acid;1H-pyrazole boronic acid;1H-pyrazol-3-boronic acid;1H-pyrazol-5-boronic acid;1H-pyrazole-5 boronic acid;1-H-Pyrazole-3-boronic acid;1H-pyrazole-3-ylboronic acid;3-PYRAZOLEBORONIC ACID;SCHEMBL130327;(1H-Pyrazol-3-yl)boronicacid;1H-pyrazol-5-yl boronic acid;1H-pyrazole-5-yl boronic acid;DTXSID30460052;NEUWPDLMDVINSN-UHFFFAOYSA-N;B-(1H-pyrazol-3-yl)boronic acid;BCP11804;CS-D1217;BDBM50390935;CS1248;MFCD02020768;RB2080;AKOS000558042;AKOS005173603;AB10622;BS-2062;GS-6563;1H-Pyrazole-5-boronic acid, AldrichCPR;AC-25835;AM803810;SY009361;A6426;BB 0216618;BB 0222328;FT-0649589;EN300-200298;F31413;A823811;A899028;1H-pyrazol-3-ylboronicacid;Pyrazole-3-boronic Acid;J-504720;PYRAZOLE-3-BORONIC ACPUBCHEM_EXT_DATASOURCE_REGID

Chemical Property of 1H-Pyrazol-3-ylboronic acid

Chemical Property:

• Melting Point: 85-88°C
• Refractive Index: 1.618
• Boiling Point: 430.4±37.0 °C(Predicted)
• PKA: 8.58±0.53(Predicted)
• PSA: 69.14000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: -1.91050
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water.
• 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:

98% ^*data from raw suppliers

1H-Pyrazol-3-yl boronic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=NN1)(O)O
• Uses: Significantly used as synthetic intermediates. They are widely used in the production of optics.

Technology Process of 1H-Pyrazol-3-ylboronic acid

There total 2 articles about 1H-Pyrazol-3-ylboronic 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: 48.0%

1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole (449758-17-2) → 1H-pyrazole-5-boronic acid (376584-63-3,1239363-47-3)

Guidance literature:

With n-butyllithium; triisopropylborane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 5h;

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + C3H3BrMgN2 → 1H-pyrazole-5-boronic acid (376584-63-3,1239363-47-3)

Guidance literature:

at 10 - 20 ℃; for 0.5h;

Reference yield: 100.0%

5-bromo-2-nitroaniline (5228-61-5) + 1H-pyrazole-5-boronic acid (376584-63-3,1239363-47-3) → 2-nitro-5-(1H-pyrazol-5-yl)aniline

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; In water; N,N-dimethyl-formamide; at 130 ℃; for 1h; Inert atmosphere; Microwave irradiation;

upstream raw materials:

1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole

Trimethyl borate

Downstream raw materials:

[2-(1H-pyrazol-3-yl)benzyl]carbamic acid tert-butyl ester

5-phenyl-1H-pyrazole

4-methyl-2-(2H-pyrazol-3-yl)-thiazole-5-carboxylic acid benzylamide

N-(4-fluoro-2-(1H-pyrazol-5-yl)benzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

Refernces

• 1、 -. "TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES". Page/Page column 55. . Retrieved 2008/06/13.