2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
• CAS No.: 927384-44-9
• Molecular Formula: C₁₆H₁₂BBrN₂
• Molecular Weight: 323
• Hs Code.: 2914390090
• European Community (EC) Number: 805-184-3
• DSSTox Substance ID: DTXSID00693714
• Nikkaji Number: J2.428.925G
• Wikidata: Q82622739
• Mol file: 927384-44-9.mol

Synonyms:927384-44-9;2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine;2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine;3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene;2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho-[1,8-de][1,3,2]diazaborinine;C16H12BBrN2;SCHEMBL16016656;DTXSID00693714;MFCD16038141;4-Bromo-1-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)benzene;AKOS015835642;AS-2533;AC-27916;B3655;CS-0186413;T71468;A920384;2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborine;3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13]trideca-1(12),5,7,9(13),10-pentaene;3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene

Chemical Property of 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

Chemical Property:

• Boiling Point: 464.5±47.0 °C(Predicted)
• PKA: -3.27±0.20(Predicted)
• Density: 1.50±0.1 g/cm3(Predicted)
• Storage Temp.: 0-10°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 322.02769
• Heavy Atom Count: 20
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)Br

Technology Process of 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

There total 2 articles about 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine 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: 99.0%

4-Bromophenylboronic acid (5467-74-3) + naphthalene-1,8-diamine (479-27-6) → 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de] [1,3,2]diazaborinine (927384-44-9)

Guidance literature:

In toluene; Heating;

DOI:10.1021/ja067975p

Reference yield: 62.0%

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine (1214264-88-6) + 4-bromo-aniline (106-40-1) → 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de] [1,3,2]diazaborinine (927384-44-9)

Guidance literature:

With tert.-butylnitrite; sodium acetate; tetra-(n-butyl)ammonium iodide; dibenzoyl peroxide; In acetonitrile; at 80 ℃; Schlenk technique; Inert atmosphere;

DOI:10.3390/molecules24030377

Reference yield: 97.0%

2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de] [1,3,2]diazaborinine (927384-44-9) + 4-methylphenylboronic acid (5720-05-8) → 4-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-4'-methyl-1,1'-biphenyl

Guidance literature:

With cesium fluoride; bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 60 ℃; for 4h;

DOI:10.1021/ja067975p

upstream raw materials:

4-Bromophenylboronic acid

naphthalene-1,8-diamine

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

4-bromo-aniline

Downstream raw materials:

4-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-6',6''-dimethoxy-4'''-methyl-1,1':3',1'':3'',1'''-quaterphenyl

4-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-6'',6'''-dimethoxy-4''''-methyl-1,1':4',1'':3'',1''':3''',1''''-quinquephenyl

C₂₇H₂₅BO₄

C₃₃H₂₉BO₄

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