Pyrazabole

Base Information

• Chemical Name: Pyrazabole
• CAS No.: 16998-91-7
• Molecular Formula: C6H10 B2 N4
• Molecular Weight: 159.794
• NSC Number: 376441
• Mol file: 16998-91-7.mol

Synonyms:Pyrazabole;16998-91-7;NSC376441;PYRAZABOLE 97;PYRAZABOLE, 97%;NSC 376441;Boron, tetrahydrobis(mu-(1H-pyrazolato-kappaN1:kappaN2))di-;SCHEMBL262947;AKOS006272184;NSC-376441;Boron, tetrahydrobis[.mu.-(1H-pyrazolato-.kappa.N1:.kappa.N2)]di-

Chemical Property of Pyrazabole

Chemical Property:

• Melting Point: 81-83 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.64000
• Density: g/cm³
• LogP: -1.44140
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.0778565
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-]1N2C=CC=[N+]2[B-]N3[N+]1=CC=C3

Technology Process of Pyrazabole

There total 3 articles about Pyrazabole 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: 90.0%

NH-pyrazole (288-13-1) + trimethylamine-borane (75-22-9) → pyrazabole (16998-91-7)

Guidance literature:

DOI:10.1021/ja00960a065 DOI:10.1021/ja00989a016

Reference yield:

NH-pyrazole (288-13-1) + trimethylamine-borane (75-22-9) → hydrogen (1333-74-0) + pyrazabole (16998-91-7) + trimethylamine (75-50-3)

Guidance literature:

In toluene; on heating;;

DOI:10.1021/ja00989a016

Reference yield:

N-(trimethylsilyl)pyrazole borane (54304-61-9) → pyrazabole (16998-91-7)

Guidance literature:

In neat (no solvent); byproducts: (CH3)3SiH; on warming;;

upstream raw materials:

NH-pyrazole

trimethylamine-borane

N-(trimethylsilyl)pyrazole borane

Downstream raw materials:

4,4,8,8-tetrakis(1-pyrazolyl)pyrazabole

tris(methylphenylamino)borane