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| | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Basic information |
| | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Chemical Properties |
| 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) | | pka | 9.74±0.10(Predicted) | | form | Solid | | color | White to Off-White | | Stability: | Hygroscopic | | InChI | 1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2 | | InChIKey | MRMGJMGHPJZSAE-UHFFFAOYSA-N | | SMILES | Fc1ccc2c(noc2c1)C3CCNCC3 | | CAS DataBase Reference | 84163-77-9(CAS DataBase Reference) |
| 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 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Usage And Synthesis |
| Chemical Properties | White Crystalline Powder | | Uses | An Intermediate in the synthesis of risperidone and iloperidone. | | Synthesis | 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 |
| | 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Preparation Products And Raw materials |
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