376584-63-3

Basic information

• Product Name: Pyrazole-3-boronic acid
• Synonyms: 2H-pyrazol-3-ylboronic acid;Pyrazole-5-boronic acid;Pyrazol-3-ylboronic acid;CHEMBRDG-BB 4201615;1H-PYRAZOL-3-YL BORONIC ACID;1H-PYRAZOLE-3-YL BORONIC ACID;1H-PYRAZOLE-3-BORONIC ACID;1H-Pyrazole-3-boronic acid hydrate, 95%
• CAS NO: 376584-63-3
• Molecular Formula: C₃H₅BN₂O₂
• Molecular Weight: 129.91
• Product Categories: Boronic acid;Organoborons;Pyrazole;Boric Acid| Boric Acid Ester| Potassium Trifluoroborate
• Mol File: 376584-63-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 85-88°C
• Boiling Point: 430.4±37.0 °C(Predicted)
• Appearance: /
• Density: 1.40±0.1 g/cm3(Predicted)
• Refractive Index: 1.618
• Storage Temp.: 2-8°C
• PKA: 8.58±0.53(Predicted)
• Water Solubility: Soluble in water.
• CAS DataBase Reference: Pyrazole-3-boronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrazole-3-boronic acid(376584-63-3)
• EPA Substance Registry System: Pyrazole-3-boronic acid(376584-63-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 376584-63-3(Hazardous Substances Data)

Usage

Uses

Significantly used as synthetic intermediates. They are widely used in the production of optics.

InChI:InChI=1/C3H4BBrN2O2/c5-7-3(4(8)9)1-2-6-7/h1-2,8-9H

Upstream product

• 449758-17-2 1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole 
• 121-43-7 Trimethyl borate 

Downstream Products

• 870563-38-5 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 
• 1141878-91-2 4-fluoro-N-{[2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}benzamide 
• 1082442-07-6 5-(4-methoxyphenyl)-2-(1H-pyrazol-5-yl)oxazole-4-carboxamide 
• 1059734-16-5 N-[2-methyl-5-(1H-pyrazol-5-yl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide 
• 1032648-68-2 1-[1-allyl-6-(2H-pyrazol-3-yl)-1H-indol-3-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)-1H-indazol-5-yl]ethanol 
• 1009378-48-6 4-methyl-2-(2H-pyrazol-3-yl)-thiazole-5-carboxylic acid benzylamide 
• 2458-26-6 5-phenyl-1H-pyrazole 
• 449758-18-3 [2-(1H-pyrazol-3-yl)benzyl]carbamic acid tert-butyl ester 

Relevant articles and documents

2-amino-5-heteroaryl substituted pyrazine derivative and application thereof

The invention provides a 2-amino-5-heteroaryl substituted pyrazine derivative with a chemical structure as shown in a formula 1, a pharmaceutical preparation containing the 2-amino-5-heteroaryl substituted pyrazine derivative, and application of the 2-amino-5-heteroaryl substituted pyrazine derivative in drugs for treating or preventing malaria. Compared with the prior art, the compound has the effects of resisting plasmodium falciparum proliferation and resisting plasmodium falciparum of different strains, and has the advantages of longer half-life period, lower plasma clearance rate, higher distribution volume and better oral bioavailability.

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.