Perisoxal

Base Information

• Chemical Name: Perisoxal
• CAS No.: 2055-44-9
• Molecular Formula: C16H20 N2 O2
• Molecular Weight: 272.347
• Hs Code.: 2934999090
• UNII: H0YBV6N85R
• DSSTox Substance ID: DTXSID00860146
• Nikkaji Number: J7.312A
• Wikidata: Q27279433
• NCI Thesaurus Code: C170312
• ChEMBL ID: CHEMBL2105453
• Mol file: 2055-44-9.mol

Synonyms:3-(1-hydroxy-2-piperidinoethyl)-5-phenylisoxazole;31252-S;Isoxal;perisoxal;perisoxal citrate;perisoxal citrate (1:1);perisoxal citrate (2:1);perisoxal, (+-)-isomer;perisoxal, (R)-isomer;perisoxal, (S)-isomer

Chemical Property of Perisoxal

Chemical Property:

• Vapor Pressure: 1.54E-09mmHg at 25°C
• Melting Point: 107-108°
• Boiling Point: 467.4°Cat760mmHg
• Flash Point: 236.5°C
• PSA: 49.50000
• Density: 1.157g/cm³
• LogP: 2.79880
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 272.152477885
• Heavy Atom Count: 20
• Complexity: 288

Purity/Quality:

98%,99%, ^*data from raw suppliers

PERISOXAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O

Technology Process of Perisoxal

There total 2 articles about Perisoxal 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-(2-methylthio-2-piperidinoacetyl)-5-phenylisoxazole + dichloromethane hydrate → 3-(2-piperidino-1-hydroxyethyl)-5-phenylisoxazole (2055-44-9)

Guidance literature:

With hydrogenchloride; In methanol; sodium borohydrid; water; benzene;

Reference yield:

→ 3-(2-piperidino-1-hydroxyethyl)-5-phenylisoxazole (2055-44-9)

Guidance literature:

entspr. Keton (I), LiAlH4;

Reference yield:

3-(2-piperidino-1-hydroxyethyl)-5-phenylisoxazole (2055-44-9) → 2-(1-oxy-piperidin-1-yl)-1-(5-phenyl-isoxazol-3-yl)-ethanol (55798-56-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In methanol; at 0 ℃; for 0.5h;

DOI:10.1248/cpb.24.1757

Downstream raw materials:

2-(1-oxy-piperidin-1-yl)-1-(5-phenyl-isoxazol-3-yl)-ethanol

1-[2-hydroxy-2-(5-phenyl-isoxazol-3-yl)-ethyl]-piperidin-2-one