delta2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)-

Base Information

• Chemical Name: delta2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)-
• CAS No.: 28149-53-3
• Molecular Formula: C₁₂H₉BCl₂N₄
• Molecular Weight: 290.947
• DSSTox Substance ID: DTXSID50422617
• Wikidata: Q82234574
• Mol file: 28149-53-3.mol

Synonyms:AGN-PC-0LSV2E;.delta.2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)-;DTXSID50422617;JQQVJVXBEAQIHF-UHFFFAOYSA-N;1,4-Bis(4-chlorophenyl)-4,5-dihydro-1H-1,2,3,4,5-tetraazaborole #

Chemical Property of delta2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)-

Chemical Property:

• PSA: 31.20000
• LogP: 3.13760
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 289.0219068
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B]1N(N=NN1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Technology Process of delta2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)-

There total 3 articles about delta2-Tetrazaboroline, 1,4-bis(p-chlorophenyl)- 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: 50.0%

1-azido-4-chlorobenzene (3296-05-7) + 4-chloro-aniline (106-47-8) + diborane (19287-45-7) → HBN4(C6H4-4-Cl)2 (28149-53-3)

Guidance literature:

In diethyl ether; giving to the sol. of B2H6 and 4-ClC6H4NH2 the 4-ClC6H4N3, after one d the material crystg.; recrystn. from petroleum ether or benzene;

DOI:10.1039/j19700001077

Reference yield:

4-chlorophenylhydrazine hydrochloride (1073-70-7) → HBN4(C6H4-4-Cl)2 (28149-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl, NaNO₂

2: (i) B₂H₆, (ii) /BRN= 1210408/

With hydrogenchloride; sodium nitrite;

DOI:10.1039/j19700001077

Reference yield:

1-azido-4-chlorobenzene (3296-05-7) + 4-ClC6H4NH2*BH3 (856613-80-4) → HBN4(C6H4-4-Cl)2 (28149-53-3)

Guidance literature:

heating;

DOI:10.1039/j19700001077

upstream raw materials:

4-chlorophenylhydrazine hydrochloride

1-azido-4-chlorobenzene

4-chloro-aniline

diborane

Downstream raw materials:

1-azido-4-chlorobenzene