beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide

Base Information

• Chemical Name: beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide
• CAS No.: 86683-94-5
• Molecular Formula: C18H23 N3 O2
• Molecular Weight: 313.39
• DSSTox Substance ID: DTXSID701007016
• Mol file: 86683-94-5.mol

Synonyms:BRN 5595391;86683-94-5;beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide;1-Piperidinepropanamide, beta-methyl-N-(3-phenyl-5-isoxazolyl)-;DTXSID701007016;LS-115957;N-(3-Phenyl-1,2-oxazol-5-yl)-3-(piperidin-1-yl)butanimidic acid

Chemical Property of beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide

Chemical Property:

• Vapor Pressure: 4.66E-12mmHg at 25°C
• Boiling Point: 547.9°C at 760 mmHg
• Flash Point: 285.2°C
• PSA: 61.86000
• Density: 1.167g/cm³
• LogP: 4.13200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 313.17902698
• Heavy Atom Count: 23
• Complexity: 379

Purity/Quality:

1-PIPERIDINEPROPANAMIDE, BETA-METHYL-N-(3-PHENYL-5-ISOXAZOLYL)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)NC1=CC(=NO1)C2=CC=CC=C2)N3CCCCC3

Technology Process of beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide

There total 2 articles about beta-Methyl-N-(3-phenyl-5-isoxazolyl)-1-piperidinepropanamide 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: 90.0%

piperidine (110-89-4) + N-(3-phenyl-5-isoxazolyl)-2-butenamide (86685-43-0) → N-(3-Phenyl-isoxazol-5-yl)-3-piperidin-1-yl-butyramide (86683-94-5)

Guidance literature:

In ethanol; for 30h; Heating;

DOI:10.1248/cpb.34.1634

Reference yield:

3-phenyl-isoxazol-5-ylamine (4369-55-5) → N-(3-Phenyl-isoxazol-5-yl)-3-piperidin-1-yl-butyramide (86683-94-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / Na₂CO₃ / CHCl₃ / 7 h / Heating

2: 90 percent / ethanol / 30 h / Heating

With sodium carbonate; In ethanol; chloroform;

DOI:10.1248/cpb.34.1634

Reference yield: 81.0%

N-(3-Phenyl-isoxazol-5-yl)-3-piperidin-1-yl-butyramide (86683-94-5) → (3-Phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-butyl)-amine (86684-15-3)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In benzene; for 12h; Ambient temperature;

DOI:10.1248/cpb.34.1634

upstream raw materials:

piperidine

N-(3-phenyl-5-isoxazolyl)-2-butenamide

3-phenyl-isoxazol-5-ylamine

Downstream raw materials:

(3-Phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-butyl)-amine

Benzyl-(3-phenyl-isoxazol-5-yl)-(3-piperidin-1-yl-butyl)-amine

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