1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-

Base Information

• Chemical Name: 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-
• CAS No.: 2479-64-3
• Molecular Formula: C12H11 B N2
• Molecular Weight: 194.044
• Hs Code.: 2934999090
• European Community (EC) Number: 654-089-1
• NSC Number: 54021
• UNII: BU668ZJI1Q
• DSSTox Substance ID: DTXSID50179492
• Nikkaji Number: J41.283J
• Wikidata: Q83050038
• Mol file: 2479-64-3.mol

Synonyms:1,3,2-benzodiazaborole

Chemical Property of 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-

Chemical Property:

• Vapor Pressure: 0.000285mmHg at 25°C
• Boiling Point: 322.1°Cat760mmHg
• Flash Point: 148.6°C
• PSA: 24.06000
• Density: 1.14g/cm³
• LogP: 2.19540
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.1015285
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

2-PHENYL-1,3,2-BENZODIAZABOROLE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(NC2=CC=CC=C2N1)C3=CC=CC=C3

Technology Process of 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl-

There total 11 articles about 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-2-phenyl- 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: 100.0%

1,2-diamino-benzene (95-54-5) + phenylboronic acid (98-80-6) → 2-phenyl-2,3-dihydro-1H-benzo[1,3,2]diazaborole (2479-64-3)

Guidance literature:

at 40 ℃; for 1h;

DOI:10.1002/chem.200304793

Reference yield: 93.0%

bromobenzene (108-86-1,52753-63-6) + 1,2-diamino-benzene (95-54-5) → 2-phenyl-2,3-dihydro-1H-benzo[1,3,2]diazaborole (2479-64-3)

Guidance literature:

bromobenzene; With magnesium; In tetrahydrofuran; at 20 ℃;

With Trimethyl borate; In tetrahydrofuran; at -78 ℃;

1,2-diamino-benzene; In toluene; for 3h; Heating;

DOI:10.3762/bjoc.10.109

Reference yield: 85.0%

1,2-diamino-benzene (95-54-5) + potassium phenyltrifluoborate → 2-phenyl-2,3-dihydro-1H-benzo[1,3,2]diazaborole (2479-64-3)

Guidance literature:

With boron trifluoride ethylamine; In toluene; at 80 ℃; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.6b00435

upstream raw materials:

phenylborondichloride

1,2-diamino-benzene

phenylboronic acid

benzo-2-chloro-1,3,2-diazaborolane

Downstream raw materials:

1,2-diamino-benzene

phenylboronic acid

4-methoxylbiphenyl

1-phenyl-4-nitrobenzene