ChemicalBook--->CAS DataBase List--->15177-57-8

15177-57-8

15177-57-8 Structure

15177-57-8 Structure
IdentificationBack 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 PropertiesBack 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.
[pka]

-0.72±0.10(Predicted)
[InChIKey]

RODXBOIDZPQDBH-UHFFFAOYSA-N
Questions And AnswerBack 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.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36-24/25
[WGK Germany ]

3
[HS Code ]

29333990
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