| Identification | Back Directory | [Name]
4-[4-[4-(trifluoroMethoxy)phenoxy]piperidin-1-yl]phenol | [CAS]
681482-81-5 | [Synonyms]
Delamanid Phenol Impurity
4-{4-[4-(Trifluoromethoxy)phenoxy]piperidino}benzenol
4-[4-[4-(trifluoroMethoxy)phenoxy]piperidin-1-yl]phenol
Phenol, 4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidinyl]- | [Molecular Formula]
C18H18F3NO3 | [MDL Number]
MFCD16170437 | [MOL File]
681482-81-5.mol | [Molecular Weight]
353.34 |
| Chemical Properties | Back Directory | [Melting point ]
113-114°C | [Boiling point ]
461.2±45.0 °C(Predicted) | [density ]
1.308±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator, under inert atmosphere | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
12.25±0.30(Predicted) | [color ]
Beige | [InChI]
InChI=1S/C18H18F3NO3/c19-18(20,21)25-17-7-5-15(6-8-17)24-16-9-11-22(12-10-16)13-1-3-14(23)4-2-13/h1-8,16,23H,9-12H2 | [InChIKey]
KXHMPYHAQBAPJK-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(N2CCC(OC3=CC=C(OC(F)(F)F)C=C3)CC2)C=C1 |
| Hazard Information | Back Directory | [Uses]
4-[4-(4-Trifluoromethoxyphenoxy)piperidin-1-yl]phenol is an intermediate in the synthesis of Delamanid (D230660), a novel anti-tuberculosis medication that inhibits mycolic acid synthesis and shows potent in-vitro and in-vivo activity against drug-resistant strains of Mycobacterium tuberculosis. |
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