| Identification | More | [Name]
6-BROMO-2-CHLORO-QUINOLINE | [CAS]
1810-71-5 | [Synonyms]
6-BROMO-2-CHLORO-QUINOLINE
2-Chloro-6-bromoquinoline
4,4'',4''-TRIIODOTRIPHENYLAMINE | [EINECS(EC#)]
675-964-4 | [Molecular Formula]
C9H5BrClN | [MDL Number]
MFCD04115272 | [Molecular Weight]
242.5 | [MOL File]
1810-71-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White Crystalline Solid | [Melting point ]
148-150℃ | [Boiling point ]
325.7±22.0 °C(Predicted) | [density ]
1.673±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Soluble in Chloroform and Methanol | [form ]
Solid | [pka]
-0.48±0.43(Predicted) | [color ]
White Crystalline | [InChI]
InChI=1S/C9H5BrClN/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H | [InChIKey]
YXRDWUJAJLDABJ-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC(Br)=CC=2)C=CC=1Cl | [CAS DataBase Reference]
1810-71-5(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White Crystalline Solid | [Uses]
It is used as a pharmaceutical intermediate. | [Synthesis]
Step 1: 6-Bromoquinolin-2(1H)-one (1.0 g, 4.4 mmol, 1.0 eq.) was dissolved in phosphoryl chloride (15 mL), stirred and heated to 100 °C, and reacted for 15 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and water was added to the residue. The precipitated solid was collected by filtration and dried under vacuum to give 6-bromo-2-chloroquinoline as a pink solid (1.0 g, 92% yield).LC-MS (ES) m/z = 241.0, 243.0 [M + H]+.1H NMR (400 MHz, DMSO-d6) δ ppm: 7.41 (d, J = 8.4 Hz, 1H), 7.79-7.82 ( m, 1H), 7.89 (d, J = 9.2 Hz, 1H), 7.98-7.99 (m, 1H), 8.02 (d, J = 8.8 Hz, 1H). | [References]
[1] Patent: WO2017/46739, 2017, A1. Location in patent: Page/Page column 78
[2] Journal of the American Chemical Society, 2016, vol. 138, # 25, p. 7808 - 7811
[3] Patent: WO2006/132739, 2006, A2. Location in patent: Page/Page column 36
[4] European Journal of Medicinal Chemistry, 2000, vol. 35, # 10, p. 931 - 940
[5] Patent: WO2009/39127, 2009, A1. Location in patent: Page/Page column 181 |
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