ChemicalBook--->CAS DataBase List--->1246562-40-2

1246562-40-2

1246562-40-2 Structure

1246562-40-2 Structure
IdentificationBack Directory
[Name]

N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine
[CAS]

1246562-40-2
[Synonyms]

2-Am
FBPBPA
N-BP-FL-PBr
9-diMethyl-9H-Fluoren-2-aMine
1'-biphenyl]-4-yl-N-(4-broMophenyl)-9
N-(biphenyl-4-yl)-N-(4-broMophenyl)-9,9-diMethyl-9
2-Amino-N-[(1,1'-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dime
2-[(4-Biphenylyl)(4-bromophenyl)amino]-9,9-dimethylfluorene
-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine
N-([1,1'-Biphenyl]-4-yl)-N-(4-bromophenyl)-9,9-dimethyl-9H-fluoren-2
2-Amino-N-[(1,1'-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dimethylfluorene
9H-FLUORENE-2-AMINE,N-[1,1'-BIPHENYL]-4-YL-N-(4-BROMOPHENYL-9,9'DIMETHYL
N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine
9H-Fluoren-2-amine, N-[1,1'-biphenyl]-4-yl-N-(4-bromophenyl)-9,9-dimethyl-
N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine
2-Amino-N-[(1,1'-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dimethylfluorene >
2-Amino-N-[(1,1'-biphenyl)-4-yl]-N-(4-bromophenyl)-9,9-dimethylfluorene
N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine ISO 9001:2015 REACH
[Molecular Formula]

C33H26BrN
[MDL Number]

MFCD20040455
[MOL File]

1246562-40-2.mol
[Molecular Weight]

516.47
Chemical PropertiesBack Directory
[Melting point ]

159.0 to 163.0 °C
[Boiling point ]

655.9±55.0 °C(Predicted)
[density ]

1.293±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Tetrahydrofuran
[form ]

powder to crystal
[pka]

-3.55±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C33H26BrN/c1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)35(27-18-14-25(34)15-19-27)26-16-12-24(13-17-26)23-8-4-3-5-9-23/h3-22H,1-2H3
[InChIKey]

CBLKFNHDNANUNU-UHFFFAOYSA-N
[SMILES]

C1(C)(C)C2=C(C=CC=C2)C2=C1C=C(N(C1=CC=C(C3=CC=CC=C3)C=C1)C1=CC=C(Br)C=C1)C=C2
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 ]

2921.49.5000
Hazard InformationBack Directory
[Uses]

N-([1,1''-Biphenyl]-4-yl)-N-(4-bromophenyl)-9,9-dimethyl-9H-fluoren-2-amine is used as a reactant in the synthesis of novel hole transport materials for efficient green electroluminescent devices.
[Synthesis]

N-(4-biphenyl)-(9,9-dimethylfluoren-2--yl)Amine

897671-69-1

1-Bromo-4-iodobenzene

589-87-7

N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine

1246562-40-2

GENERAL STEPS: A mixture of N-([1,1'-biphenyl]-4-yl)-9,9-dimethyl-9H-fluoren-2-amine (1.00 g, 2.77 mmol), 1-bromo-4-iodobenzene (1.00 g, 3.53 mmol), potassium hydroxide (0.30 g, 5.38 mmol), cuprous iodide (5.70 mg, 0.03 mmol) and 1,10- Phenanthroline monohydrate (5.40 mg, 0.03 mmol) in o-xylene (30 mL) was reacted with stirring under nitrogen protection at 150 °C for 8 hours. After completion of the reaction, it was cooled to room temperature and the reaction solution was concentrated under reduced pressure. Cold water was added to the residue, which was then extracted with dichloromethane (DCM). The organic phases were combined, filtered and dried over anhydrous magnesium sulfate (MgSO4). The crude product was purified by silica gel (SiO2) column chromatography with the eluent of petroleum ether/dichloromethane (4:1, v/v) to afford the target product N-[1,1'-biphenyl]-4-yl-N-(4-bromophenyl)-9,9-dimethyl-9H-fluoren-2-amine (1.31 g, 91.8% yield).1H NMR (400 MHz, CDCl3) δ 7.58 (d, J = 7.5 Hz, 1H), 7.52 (t, J = 7.5 Hz, 3H), 7.43 (d, J = 8.7 Hz, 2H), 7.35 (dd, J = 15.4, 7.4 Hz, 3H), 7.29 (d, J = 8.9 Hz, 2H), 7.23 (m, 3H), 7.14 (d, J = 2.0 Hz, 1H). 7.10 (d, J = 8.6 Hz, 2H), 6.98 (m, 3H), 1.36 (s, 6H).

[References]

[1] Tetrahedron, 2017, vol. 73, # 31, p. 4610 - 4615
[2] Patent: CN107652189, 2018, A. Location in patent: Paragraph 0088; 0089-0091
[3] Patent: US2012/292576, 2012, A1. Location in patent: Page/Page column 131-132
[4] Patent: US9385325, 2016, B2. Location in patent: Page/Page column 71; 72
[5] Patent: EP2415773, 2012, A2. Location in patent: Page/Page column 16-17
Spectrum DetailBack Directory
[Spectrum Detail]

N-[1,1'-biphenyl]-4-yl-N-(4-broMophenyl)-9,9-diMethyl-9H-Fluoren-2-aMine(1246562-40-2)1HNMR
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