4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol

Base Information

• Chemical Name: 4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol
• CAS No.: 55578-68-2
• Molecular Formula: C16H20N2O3
• Molecular Weight: 288.3416
• DSSTox Substance ID: DTXSID20970918
• Nikkaji Number: J126.024C
• Mol file: 55578-68-2.mol

Synonyms:BRN 0545635;4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol;55578-68-2;1-Piperidineethanol, 4-hydroxy-alpha-(5-phenyl-3-isoxazolyl)-;3-(1-Hydroxy-2-(4-hydroxypiperidino)ethyl)-5-phenylisoxazole;3-[1-hydroxy-2-(4-hydroxypiperidino)ethyl]-5-phenylisoxazole;1-[2-hydroxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]piperidin-4-ol;SCHEMBL11782975;DTXSID20970918;FKOHMXLEMXUXTG-UHFFFAOYSA-N;LS-115434;3-[1-hydroxy-2-(4-hydroxypiperidino) ethyl]-5-phenylisoxazole;3-[1-hydroxy-2-(4-hydroxypiperidino ) ethyl]-5-phenylisoxazole

Chemical Property of 4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol

Chemical Property:

• Vapor Pressure: 7.53E-12mmHg at 25°C
• Boiling Point: 525°Cat760mmHg
• PKA: 12.87±0.20(Predicted)
• Flash Point: 271.3°C
• PSA: 69.73000
• Density: 1.241g/cm³
• LogP: 1.76960
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 288.14739250
• Heavy Atom Count: 21
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1O)CC(C2=NOC(=C2)C3=CC=CC=C3)O

Technology Process of 4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol

There total 5 articles about 4-Hydroxy-alpha-(5-phenyl-3-isoxazolyl)-1-piperidineethanol 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:

4-HYDROXYPIPERIDINE (5382-16-1) + 2-bromo-1-(5-phenyl-isoxazol-3-yl)-ethanol (49637-06-1) → 1-[2-hydroxy-2-(5-phenyl-isoxazol-3-yl)-ethyl]-piperidin-4-ol (55578-68-2)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; benzene; at 70 ℃; for 5h;

DOI:10.1248/cpb.24.1757

Reference yield:

3-(4-hydroxypiperidino)acetyl-5-phenylisoxazole → 1-[2-hydroxy-2-(5-phenyl-isoxazol-3-yl)-ethyl]-piperidin-4-ol (55578-68-2)

Guidance literature:

With potassium hydroxide; sodium borohydrid; In ethanol; water;

Reference yield:

4-HYDROXYPIPERIDINE (5382-16-1) + 3-oxiranyl-5-phenyl-isoxazole (41347-21-1) → 1-[2-hydroxy-2-(5-phenyl-isoxazol-3-yl)-ethyl]-piperidin-4-ol (55578-68-2)

Guidance literature:

at 80 ℃; for 0.5h;

DOI:10.1248/cpb.24.1757

upstream raw materials:

4-HYDROXYPIPERIDINE

3-oxiranyl-5-phenyl-isoxazole

2-bromo-1-(5-phenyl-isoxazol-3-yl)-ethanol

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