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

Base Information

• Chemical Name: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
• CAS No.: 84163-13-3
• Molecular Formula: C12H13FN2O^.HCl
• Molecular Weight: 256.707
• Hs Code.: 2934990002
• Mol file: 84163-13-3.mol

Synonyms:1,2-Benzisoxazole,6-fluoro-3-(4-piperidinyl)-, monohydrochloride (9CI);4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidinehydrochloride;6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride;6-Fluoro-3-(4-piperidinyl)benzisoxazole hydrochloride;6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride;6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole HCl;6-Fluoro-3-(4-piperidinyl)-1, 2-benzisoxazole hydrochloride;

Chemical Property of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

Chemical Property:

• Appearance/Colour: white or off-white crystal
• Vapor Pressure: 2.23E-06mmHg at 25°C
• Melting Point: 293-295 °C
• Boiling Point: 387.3 °C at 760 mmHg
• Flash Point: 188 °C
• PSA: 38.06000
• Density: 1.42g/cm3 at 20℃
• LogP: 3.56470
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly, Heated), Methanol (Very Slightly, Heated), Water (Slightly, Heat

Purity/Quality:

99%min ^*data from raw suppliers

6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride (Risperidone EP Impurity M; Paliperidone USP Related Compound B) is a novel antiproliferative agent.

Technology Process of 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

There total 18 articles about 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.8%

(2,4-difluorophenyl)(4-piperidinyl)methanone oxime (84163-46-2) → 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride (84163-13-3)

Guidance literature:

With N-methylcyclohexylamine; potassium tert-butylate; In water; toluene; for 6h; Reflux;

Reference yield: 90.4%

(2,4-Difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride → 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride (84163-13-3)

Guidance literature:

(2,4-Difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride; With hydroxylamine hydrochloride; potassium hydroxide; In methanol;

With potassium hydroxide; In methanol; at 40 - 45 ℃; for 12h;

With hydrogenchloride; In methanol; water; at 0 - 30 ℃; for 2h; pH=< 1; Solvent; Reagent/catalyst; Temperature; Concentration;

Reference yield: 82.0%

→ 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride (84163-13-3) + 1-[4-(2.4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone (84162-82-3)

Guidance literature:

upstream raw materials:

6-fluoro-3-(1-formyl-4-piperidinyl)-1,2-benzisoxazole

1-formyl-4-(2,4-difluorobenzoyl)piperidine oxime

6-fluoro-3-(1-methylpiperidin-4-yl)benzisoxazole

1-formylisonipecotoyl chloride

Downstream raw materials:

Risperidone

iloperidone

paliperidone

4'-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]propoxy]-3'-methoxyacetophenone hydrochloride

Refernces

• 1、 -. "Preparation method of 6-fluoro-3-(4-piperidyl)-1, 2-benzisoxazole hydrochloride". Paragraph 0017-0023. . Retrieved 2021/03/05.
• 2、 -. "Preparation method of iloperidone intermediate". Paragraph 0041; 0042. . Retrieved 2017/07/19.