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Home > Encyclopedia > Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-

Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-

Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]- structure

Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]- 

structure
  • CAS No:

    952514-79-3

  • Formula:

    C19H15BN2O2

  • Chemical Name:

    Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-

  • Synonyms:

    Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-;4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid;B-[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]boronic acid;B(OH)2 4-(1-Phenyl-1H-benziMidazol -2-yl)phenylboronic acid;[3-(1-phenyl-1H-benziMidazol-2-yl)phenyl]Boronic acid;4-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid(PBIB);BIBA;1-phenyl-2-( phenyl-4-boromic acid)-benzimidazole

  • Categories:

    Pharmaceutical Intermediates  >  Oled Material Intermediate

Description

White to off-white powder

Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]- Basic Attributes

314.15

314.122650

DTXSID80693030

2933990090

Characteristics

58.3

2.37230

1.2±0.1 g/cm3

572.6°C at 760 mmHg

300.1±32.9 °C

1.640

Safety Information

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]- Use and Manufacturing

Synthesis of Compound 15-5 The 7g2 - (4-bromophenyl) - 1-phenyl-benzimidazole (0.02mole) adding 150mlTHF in, lower the temperature to -78 °C, at -78 ° C dropping under 12 ml (2.5M/L, 0 . 03mole) n-BuLi, thermal insulation 30 minutes, dropping 4.26g (0.041mole) methyl borate, reaction 2 hours after the reaction end of the, water in the reaction solution of 50 ml, stirring 20 minutes, hydrochloric acid to adjust pH value to acidity, stirring 30 minutes, the reaction solution with ethyl acetate extraction three times, washing time combined with the organic layer, the organic phase is separated, turns on lathe does, solid with petroleum ether heat two times, filtering, to obtain solid intermediates kind of white G9-1, yield 65percent.Under nitrogen, the compound 17-1 (10.6g, 29mmol) and dried tetrahydrofuran (100mL) added to the three-necked flask was cooled to -78 .Followed by stirring slowly with a syringe injection 2.5 moles per liter of n-BuLi hexane solution (20mL, 50mmol), and then added triisopropyl borate (8.1g, 43mmol), stirring was continued at this temperature for 1 hour and then It was slowly warmed to room temperature and stirred overnight under nitrogen.After the reaction, the reaction mixture was poured into dilute hydrochloric acid solution in 2N, extracted three times with ethyl acetate, the combined organic phase was washed with water and brine, dried over anhydrous sodium sulfate.The solvent was removed to give the crude product was recrystallized from ethyl acetate and n-hexane 8.3g of white solid with a yield of 74percent.

Computed Properties

Molecular Weight:314.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:314.1226579
Monoisotopic Mass:314.1226579
Topological Polar Surface Area:58.3
Heavy Atom Count:24
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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