| Identification | Back Directory | [Name]
3 5-DICHLOROPYRIDINE 1-OXIDE 98 | [CAS]
15177-57-8 | [Synonyms]
TAK438 Impurity 96
Vonoprazan Impurity 96
3,5-Dichloropyridine N-oxide
Pyridine,3,5-dichloro-, 1-oxide
3 5-DICHLOROPYRIDINE 1-OXIDE 98
3,5-Dichloropyridine N-oxide 98% | [EINECS(EC#)]
200-613-5 | [Molecular Formula]
C5H3Cl2NO | [MDL Number]
MFCD00955620 | [MOL File]
15177-57-8.mol | [Molecular Weight]
163.99 |
| Chemical Properties | Back Directory | [Melting point ]
110-113 °C(lit.) | [Boiling point ]
344.2±22.0 °C(Predicted) | [density ]
1.47±0.1 g/cm3 (20 ºC 760 Torr) | [storage temp. ]
Room temperature. | [form ]
solid | [pka]
-0.72±0.10(Predicted) | [InChI]
1S/C5H3Cl2NO/c6-4-1-5(7)3-8(9)2-4/h1-3H | [InChIKey]
RODXBOIDZPQDBH-UHFFFAOYSA-N | [SMILES]
[O-][n+]1cc(Cl)cc(Cl)c1 |
| Questions And Answer | Back Directory | [Preparation]
3,5-difluoropyridine-N-oxide is prepared by the following steps:A solution of (5) (0.37 g, 3 mmol), peracetic acid ( 1.5 cm3 of 40% solution in acetic acid) in acetic acid (5 cm3) and chloroform (10 cm3) was heated at 50 "C, with stirring, for 24 h. The mixture was neutralised by the addition of dilute sodium hydroxide to the chilled mixture, then remaining peroxides were destroyed by the addition of sodium metabisulphite (2 g). Following extraction into DCM, the DCM solution was dried (MgS04) and evaporated to dryness giving a solid which was recrystallised from DCM- petrol (1: 1) to yield 3,5-difluoropyridine-N-oxide (0.3 g, 71 %), m.p. 136.5 "C (Found: C, 45.5; H, 2.3; N, 10.1. C5H3F2NO requires C, 45.8; H, 2.3; N, 10.7%); IR spectra no. 23; mass spectra no. 31; nmr spectrum no. 21. |
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