2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene CAS#: 673474-73-2; 凯望编码 (ChemWhat Code): 997209
Identification
| 英文名 | 2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene |
| IUPAC Name | 3-[2,7-dibromo-9-[3-(dimethylamino)propyl]fluoren-9-yl]-N,N-dimethylpropan-1-amine |
| 分子结构 | ![Structure of 2,7-Dibromo-9,9-bis[3-(dimethylamino)propyl]fluorene CAS 673474-73-2](https://www.chemwhat.com/wp-content/uploads/2018/05/Structure-of-27-Dibromo-99-bis3-dimethylaminopropylfluorene-CAS-673474-73-2.png) |
| CAS编号 | 673474-73-2 |
| EINECS Number | No data available |
| MDL Number | MFCD22988888 |
| Beilstein Registry Number | No data available |
| 别名 | 3-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 |
| 分子式 | C23H30Br2N2 |
| 分子量 | 494.315 |
| InChI | InChI=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 Key | RJIWYGUYDXBQCJ-UHFFFAOYSA-N |
| Canonical SMILES | CN(C)CCCC1(CCCN(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21 |
| Patent Information |
| No data available |
Physical Data
| Appearance | White powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 79 – 81 | methanol, H2O |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 300 |
| Chemical shifts, Spectrum | 13C | CDCl3 | 100 |
| Description (IR Spectroscopy) |
| Bands |
Route of Synthesis (ROS)
| No data available |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 494.313 |
| logP | 6.718 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 6.48 |
| Rotatable Bond (RotB) | 8 |
| Matching Veber Rules | 2 |
| 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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