| Identification | Back Directory | [Name]
3-benzyl-6-bromo-2-chloroquinoline | [CAS]
654655-68-2 | [Synonyms]
Bedaquiline Impurity B
3-benzyl-6-bromo-2-chloroquinoline
6-Bromo-2-chloro-3-(phenylmethyl)quinoline
Quinoline, 6-bromo-2-chloro-3-(phenylmethyl)- | [Molecular Formula]
C16H11BrClN | [MDL Number]
MFCD22493487 | [MOL File]
654655-68-2.mol | [Molecular Weight]
332.62 |
| Chemical Properties | Back Directory | [Melting point ]
111-112℃ | [Boiling point ]
435.9±40.0 °C(Predicted) | [density ]
1.482±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
-0.42±0.50(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2 | [InChIKey]
UGXUDVNBDYIJHJ-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC(Br)=CC=2)C=C(CC2=CC=CC=C2)C=1Cl |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| Hazard Information | Back Directory | [Uses]
3-Benzyl-6-bromo-2-chloroquinoline is an intermediate in the synthesis of (αS,βR)-Bedaquiline (B119540), which is a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis. | [References]
[1] Tetrahedron, 2007, vol. 63, # 2, p. 451 - 460
[2] Patent: WO2009/91324, 2009, A1. Location in patent: Page/Page column 20-21 |
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