4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole

Base Information

• Chemical Name: 4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole
• CAS No.: 95742-20-4
• Molecular Formula: C11H15ClN2O
• Molecular Weight: 226.70
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10541217
• Wikidata: Q82417501
• Mol file: 95742-20-4.mol

Synonyms:95742-20-4;4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole;4-fluoro-3-piperidin-4-yl-1,2-benzoxazole;4-FLUORO-3-(PIPERIDIN-4-YL)-1,2-BENZISOXAZOLE;4-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole;4-FLUORO-3-(PIPERIDIN-4-YL)-1,2-BENZOXAZOLE;SCHEMBL6665906;DTXSID10541217

Chemical Property of 4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole

Chemical Property:

• Boiling Point: 336.6 °C at 760 mmHg
• PKA: 9.68±0.10(Predicted)
• Flash Point: 157.4 °C
• PSA: 38.06000
• Density: 1.3 g/cm³
• LogP: 2.76270
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.10119120
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

98%Min ^*data from raw suppliers

4-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=NOC3=C2C(=CC=C3)F

Technology Process of 4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole

There total 5 articles about 4-fluoro-3-(4-piperidinyl)-1,2-Benzisoxazole 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:

3-(1-cyano-4-piperidinyl)-4-fluoro-1,2-benzisoxazole (95742-18-0) → 4-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (95742-20-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.5h; Heating;

DOI:10.1021/jm00383a012

Reference yield:

4-chloro-1-methylpiperidine (5570-77-4) → 4-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (95742-20-4)

Guidance literature:

Multi-step reaction with 4 steps

2: H₂NOH*HCl, aq. KOH / propan-2-ol / 10 h / Heating

3: 43 percent / K₂CO₃ / CHCl₃ / 4 h

4: LAH / tetrahydrofuran / 1.5 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; hydroxylamine hydrochloride; potassium carbonate; In tetrahydrofuran; chloroform; isopropyl alcohol;

DOI:10.1021/jm00383a012

Reference yield:

2,6 difluorobenzonitrile (1897-52-5) → 4-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (95742-20-4)

Guidance literature:

Multi-step reaction with 4 steps

2: H₂NOH*HCl, aq. KOH / propan-2-ol / 10 h / Heating

3: 43 percent / K₂CO₃ / CHCl₃ / 4 h

4: LAH / tetrahydrofuran / 1.5 h / Heating

With potassium hydroxide; lithium aluminium tetrahydride; hydroxylamine hydrochloride; potassium carbonate; In tetrahydrofuran; chloroform; isopropyl alcohol;

DOI:10.1021/jm00383a012

upstream raw materials:

3-(1-cyano-4-piperidinyl)-4-fluoro-1,2-benzisoxazole

4-chloro-1-methylpiperidine

2,6 difluorobenzonitrile

1-Methyl-4-(2,6-difluorobenzoyl)piperidine