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1001911-63-2

1001911-63-2 Structure

1001911-63-2 Structure
IdentificationBack Directory
[Name]

(9-phenyl-9H-carbazol-2-yl)boronic acid
[CAS]

1001911-63-2
[Synonyms]

DFFE
2-BAPC
9-Phenylcarbazole-2-boronic acid
(9-phenylcarbazol-2-yl)boronicaci
(9-phenylcarbazol-2-yl)boronic Acid
9-Phenyl-9H-carbazole-2-boronic acid
(9-phenyl-9H-carbazol-2-yl)boronic acid
B-(9-Phenyl-9H-carbazol-2-yl)-boronic acid
Boronic acid,B-(9-phenyl-9H-carbazol-2-yl)-
(9-phenyl-9 H- carbazole-2-yl) boronic acid
(9-phenyl-9H-carbazol-2-yl)boronic acid (2PCBA)
(9-phenyl-9H-carbazol-2-yl)boronic acid 1001911-63-2
(9-phenyl-9H-carbazol-2-yl)boronic acid ISO 9001:2015 REACH
1001911-63-2 (9-phenyl-9H-carbazol-2-yl)boronic acid CAS NO.1001911-63-2
9-Phenylcarbazole-2-boronic Acid (contains varying amounts of Anhydride)
[Molecular Formula]

C18H14BNO2
[MDL Number]

MFCD22207050
[MOL File]

1001911-63-2.mol
[Molecular Weight]

287.12
Chemical PropertiesBack Directory
[Boiling point ]

466.0±51.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

very slightly in Tetrahydrofuran
[form ]

powder to crystal
[pka]

8.91±0.30(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C18H14BNO2/c21-19(22)13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h1-12,21-22H
[InChIKey]

XSAOVBUSKVZIBE-UHFFFAOYSA-N
[SMILES]

B(C1C=CC2C3=C(N(C4=CC=CC=C4)C=2C=1)C=CC=C3)(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2931900090
Hazard InformationBack Directory
[Uses]

(9-phenyl-9H-carbazol-2-yl)boronic acid can be used as an intermediate in organic synthesis, mainly used in laboratory research and development and in the process of chemical and pharmaceutical synthesis.    
[Synthesis]

Synthesis_1001911-63-2_1Synthesis_1001911-63-2_2
Sub 1-3-1 (6.4g, 20mmol) was dissolved in anhydrous Ether, lowering the temperature of the reaction to -78??C, n-BuLi (2.5M in hexane) (1.4g, 22mmol) was added dropwise slowly, and after, the reaction It was stirred for 30 minutes. After lowering the temperature of the reaction back to -78??C dropwise Triisopropyl borate (5.6g, 30mmol). Stirring at room temperature, diluted with water and it binds the 2N HCl. After completion of reaction, ethyl acetate and water, dried over MgSO4 and the organic layer was extracted and recrystallized silicagel column and the resulting organic material and then concentrated to a Sub 1-4-1 4.5g (yield: 78%) was obtained.
[References]

[1] Patent: KR2015/102733, 2015, A. Location in patent: Paragraph 0127-0131
[2] Patent: KR101649950, 2016, B1. Location in patent: Paragraph 0088; 0089
[3] Patent: WO2012/169821, 2012, A1. Location in patent: Page/Page column 16-17
[4] Journal of Materials Chemistry C, 2013, vol. 1, # 26, p. 4171 - 4179
[5] Journal of Organometallic Chemistry, 2017, vol. 829, p. 92 - 100
Spectrum DetailBack Directory
[Spectrum Detail]

(9-phenyl-9H-carbazol-2-yl)boronic acid(1001911-63-2)1HNMR
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