449758-13-8

Basic information

• Product Name: 2-(1H-PYRAZOL-1-YL)BENZYLAMINE
• Synonyms: CHEMBRDG-BB 4003291;ART-CHEM-BB B022094;2-(1H-PYRAZOL-1-YL)BENZYLAMINE;(2-(1H-PYRAZOL-1-YL)PHENYL)METHANAMINE;AKOS B022094;2-(1H-Pyrazol-1-yl)benzylamine 97%;1-[2-(1H-pyrazol-1-yl)phenyl]methanamine(SALTDATA: HCl);[2-(1H-Pyrazol-1-yl)phenyl]methylamine
• CAS NO: 449758-13-8
• Molecular Formula: C₁₀H₁₁N₃
• Molecular Weight: 173.21
• Mol File: 449758-13-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 100 °C
• Flash Point: 147.5 °C
• Appearance: /
• Density: 1.16 g/cm³
• Vapor Pressure: 0.000322mmHg at 25°C
• Refractive Index: 1.622
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.48±0.10(Predicted)
• CAS DataBase Reference: 2-(1H-PYRAZOL-1-YL)BENZYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1H-PYRAZOL-1-YL)BENZYLAMINE(449758-13-8)
• EPA Substance Registry System: 2-(1H-PYRAZOL-1-YL)BENZYLAMINE(449758-13-8)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 449758-13-8(Hazardous Substances Data)

Usage

General Description

2-(1H-Pyrazol-1-yl)benzylamine is a chemical compound with the molecular formula C10H11N3. It is a substituted benzylamine with a pyrazole ring attached to the benzyl group. 2-(1H-Pyrazol-1-yl)benzylamine is commonly used in organic synthesis and medicinal chemistry. It has been studied for its potential biological activities, such as its role as a GABAA receptor modulator and its potential use as a building block for the synthesis of novel pharmaceutical compounds. 2-(1H-Pyrazol-1-yl)benzylamine is also known for its potential as a ligand for metal catalysts in organic reactions. Overall, this compound has a diverse range of applications in the field of chemistry and drug discovery.

InChI:InChI=1/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2

Upstream product

• 33906-30-8 2-hydrazinobenzoic acid hydrochloride 
• 394-47-8 2-fluorobenzonitrile 
• 1126-00-7 1-phenylpyrazole 
• 55317-53-8 2-(1H-pyrazol-1-yl)benzoic acid 
• 25660-61-1 2-pyrazol-1-yl-benzamide 
• 25775-03-5 2-(1H-pyrazol-1-yl)-benzonitrile 

Downstream Products

• 1028336-77-7 4-chloro-6-(2-pyrazol-1-yl-benzylamino)-2H-phthalazin-1-one 
• 1453837-36-9 N-(2-(1H-pyrazol-1-yl)benzyl)-8-isopropyl-2-(methylthio)-pyrazolo[1,5-a][1,3,5]triazin-4-amine 

Relevant articles and documents

Rhodium-catalyzed directed C-H cyanation of arenes with N-cyano-N-phenyl-p-toluenesulfonamide

A Rh-catalyzed directed C-H cyanation reaction was developed for the first time as a practical method for the synthesis of aromatic nitriles. N-Cyano-N-phenyl-p-toluenesulfonamide, a user-friendly cyanation reagent, was used in the transformation. Many different directing groups can be used in this C-H cyanation process, and the reaction tolerates a variety of synthetically important functional groups.

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.