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952514-79-3

952514-79-3 Structure

952514-79-3 Structure
IdentificationBack Directory
[Name]

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

952514-79-3
[Synonyms]

BIBA
(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)
1-phenyl-2-(phenyl-4-boronic acid)-benzimidazole
[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
1-phenyl-2-( phenyl-4-boromic acid)-benzimidazole
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid
4-(1-Phenyl-1H-benzimidazol-2-yl)benzeneboronic Acid
[3-(1-phenyl-1H-benziMidazol-2-yl)phenyl]Boronic acid
B-[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]boronic acid
(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronicaci
Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-
beta-[4-(1-Phenyl-1H-benzimidazol-2-yl)phenyl]-boronic acid
B(OH)2 4-(1-Phenyl-1H-benziMidazol -2-yl)phenylboronic acid
4-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid (PBIB)
Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]- ISO 9001:2015 REACH
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic Acid (contains varying amounts of Anhydride)
[Molecular Formula]

C19H15BN2O2
[MDL Number]

MFCD11045057
[MOL File]

952514-79-3.mol
[Molecular Weight]

314.15
Chemical PropertiesBack Directory
[Boiling point ]

572.6±60.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

8.47±0.17(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H
[InChIKey]

PBSIVXAPTBHFFV-UHFFFAOYSA-N
[SMILES]

B(C1=CC=C(C2N(C3=CC=CC=C3)C3=CC=CC=C3N=2)C=C1)(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2933.99.9701
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-(4-Bromophenyl)-1-phenyl-1H-benzoimidazole-->Triisopropyl borate-->Trimethyl borate-->Water-->Tetrahydrofuran-->Hexane-->n-Butyllithium
[Preparation Products]

9-Phenyl-3-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-9H-carbazole
Hazard InformationBack Directory
[Chemical Properties]

White to off-white powder
[Synthesis]

The 7g 2 - (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 4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid, yield 65percent.
[References]

[1] Patent: CN104073249, 2016, B. Location in patent: Paragraph 0065; 0073; 0074
[2] Journal of Materials Chemistry C, 2014, vol. 2, # 46, p. 9858 - 9865
Spectrum DetailBack Directory
[Spectrum Detail]

4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid(952514-79-3)1HNMR
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