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1246669-45-3

1246669-45-3 Structure

1246669-45-3 Structure
IdentificationBack Directory
[Name]

9- Phenyl-2-(4,4,5,5-tetraMethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole
[CAS]

1246669-45-3
[Synonyms]

2-(4,4,5,5-
9-Phenylcarbazole-2-boronic acid pinacol ester
9- Phenyl-2-(4,4,5,5-tetraMethyl- 1,3,2-dioxaborolan-2-yl)
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-phenylcarbazole
9-Phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
4,4,5,5-Tetramethyl-2-(9-phenylcarbazol-2-yl)-1,3,2-dioxaborolane
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan- 2-yl)-9-phenyl-9H-carbazole
9H-Carbazole, 9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
9- Phenyl-2-(4,4,5,5-tetraMethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole
[Molecular Formula]

C24H24BNO2
[MDL Number]

MFCD28129441
[MOL File]

1246669-45-3.mol
[Molecular Weight]

369.264
Chemical PropertiesBack Directory
[Melting point ]

147.0 to 151.0 °C
[Boiling point ]

478.3±27.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

powder to crystal
[color ]

White to Almost white
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 ]

2934.99.4400
Spectrum DetailBack Directory
[Spectrum Detail]

9- Phenyl-2-(4,4,5,5-tetraMethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole(1246669-45-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Bromo-9-phenyl-9H-carbazole

94994-62-4

Bis(pinacolato)diboron

73183-34-3

9- Phenyl-2-(4,4,5,5-tetraMethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole

1246669-45-3

2-Bromo-9-phenyl-9H-carbazole (8.3 g, 25.86 mmol) and pinacol ester of bisboronic acid (8.54 g, 33.61 mmol) were added to potassium acetate (5.08 g, 51.71 mmol) and Pd(dppf)Cl2 (0.42 g, 0.52 mmol) in 100 mL of 1,4-dioxane. The reaction mixture was refluxed and stirred for 12 hours. Upon completion of the reaction, the reaction mixture was extracted with dichloromethane and purified by silica gel column chromatography with an eluent ratio of hexane:dichloromethane=7:3 (v/v) to give 9.2 g of 9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole in 94% yield. The product was analyzed by 1H NMR (1.31 (s, 12H), 7.23 (t, 1H), 7.36 (m, 2H), 7.49 (t, 1H), 7.58 (dd, 2H), 7.64 (t, 2H), 7.67 (d, 1H), 7.79 (s, 1H), 8.14 (dd, 2H)) and GC-MS (theoretical value: 369.19 g/ mol, measured value: 369 g/mol) characterization was confirmed.

[References]

[1] Patent: US2013/48975, 2013, A1. Location in patent: Paragraph 0058; 0059; 0060; 0061
[2] Patent: EP2930168, 2015, A1. Location in patent: Paragraph 0089; 0093; 0290
[3] Patent: KR2015/103948, 2015, A. Location in patent: Paragraph 0319-0322
[4] Patent: KR101550768, 2015, B1. Location in patent: Paragraph 0155 - 0158
[5] Patent: KR2015/98171, 2015, A. Location in patent: Paragraph 0138; 0142; 0155-0158
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