2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene CAS#: 673474-73-2; ChemWhat Code: 997209

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene
IUPAC Name3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine
Molecular StructureStructure of 2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene CAS 673474-73-2
CAS Registry Number 673474-73-2
EINECS NumberNo data available
MDL NumberMFCD22988888
Beilstein Registry NumberNo data available
Synonyms3-Pyridinamin;3-Pyridinamine;3-Pyridinamine;pyridin-3-amine;T6NJ CZ;3- Aminopyridine;3-Amino-pyridine;3-pyridylamine;Amino-3 pyridine;m-Aminopyridine;MS/MS-1064463;Pyridin-3-ylamine;Pyridine, 3-amino-;β-Aminopyridine
462-08-8
Molecular FormulaC23H30Br2N2
Molecular Weight494.315
InChIInChI=1S/C23H30Br2N2/c1-26(2)13-5-11-23(12-6-14-27(3)4)21-15-17(24)7-9-19(21)20-10-8-18(25)16-22(20)23/h7-10,15-16H,5-6,11-14H2,1-4H3
InChI KeyRJIWYGUYDXBQCJ-UHFFFAOYSA-N
Canonical SMILESCN(C)CCCC1(CCCN(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
Patent Information
No data available

Physical Data

AppearanceWhite powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
79 – 81methanol, H2O

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hdimethylsulfoxide-d6300
Chemical shifts, Spectrum13CCDCl3100
Description (IR Spectroscopy)
Bands

Route of Synthesis (ROS)

No data available

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight494.313
logP6.718
HBA2
HBD0
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)6.48
Rotatable Bond (RotB)8
Matching Veber Rules2
Use Pattern
Organic electronic material intermediates
Commonly used in the development of materials for organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs) and organic photovoltaic devices (OPVs). The fluorene structure provides a good rigid skeleton and optoelectronic properties, and the dibrominated structure at the 2,7-position is very suitable for Suzuki or Stille coupling reactions to construct conjugated polymers.
Precursor of optoelectronic functional materials
The bromine atoms at both ends of the molecule are active sites, which can be cross-coupled with various aromatic or acetylene reagents to synthesize monomers or polymers with specific electronic properties. The dimethylaminopropyl side chain in the middle gives the material better solubility and can be further modified into cationic materials, such as the preparation of polyelectrolytes.
Polyelectrolyte synthesis
The dimethylamino group can be quaternized (such as methylated) to generate a cationic polymer monomer, which is suitable for making electron transport materials, such as polymer electron transport layers (ETLs).

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