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ChemicalBook--->CAS DataBase List--->84163-77-9

84163-77-9

84163-77-9 Structure

84163-77-9 Structure
IdentificationMore
[Name]

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
[CAS]

84163-77-9
[Synonyms]

6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HCL
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HYDROCHLORIDE
6-FLUORO-3-(4-PIPERIDYL)-1,2-BENZOISOXAZOLE HCL
6-FLUORO-3-PIPERID-4-YL-1,2-BENZISOXAZOLE HCL
6-FLUORO-3-PIPERID-4-YL-1,2-BENZISOXAZOLE HYDROCHLORIDE
6-Fluoro-3-(4-Piperidinyl)C1,2-Benzisoxazole
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE(FOR RISPERIDONE&ILOPERIDONE)
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZO[D]ISOXAZOLE
6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE 98+%
[EINECS(EC#)]

617-540-3
[Molecular Formula]

C12H13FN2O
[MDL Number]

MFCD06658529
[Molecular Weight]

220.24
[MOL File]

84163-77-9.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Powder
[Melting point ]

59-62°C
[Boiling point ]

359.0±42.0 °C(Predicted)
[density ]

1.216±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

9.74±0.10(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[CAS DataBase Reference]

84163-77-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

45-26
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Thionyl chloride-->Acetic anhydride-->Aluminum chloride-->Isopropyl alcohol-->Hydroxylamine hydrochloride-->Formic acid-->Isonipecotic acid-->1,3-Difluorobenzene-->2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride
[Preparation Products]

3-(1-(3-CHLOROPROPYL)PIPERIDIN-4-YL)-6-FLUOROBENZO[D]ISOXAZOLE
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Powder
[Uses]

An Intermediate in the synthesis of risperidone and iloperidone.
[Synthesis]

2,4-Difluorophenyl-(4-piperidinyl)methanone oxime hydrochloride

135634-18-3

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

84163-77-9

The general procedure for the synthesis of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole from (2,4-difluorophenyl)-(4-piperidinyl)methanone oxime hydrochloride (5.52 g, 20 mmol) is as follows: The raw material was added to 25 mL of 50% potassium hydroxide solution and the reaction was carried out at reflux for 4 hours. After completion of the reaction, it was cooled to room temperature and extracted with toluene (25 mL × 2). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated to dryness under reduced pressure. The crude product was recrystallized in ether to give 3.3 g of the target product in 75% yield.

[References]

[1] Patent: EP2322520, 2011, A1. Location in patent: Page/Page column 16
[2] Patent: JP5714152, 2015, B2. Location in patent: Paragraph 0089
Spectrum DetailBack Directory
[Spectrum Detail]

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole(84163-77-9)1HNMR
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