N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide

Base Information

• Chemical Name: N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide
• CAS No.: 86683-49-0
• Molecular Formula: C16H19 N3 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID901007012
• Wikidata: Q83002891
• Mol file: 86683-49-0.mol

Synonyms:BRN 5582112;N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide;86683-49-0;N-(3-Phenyl-5-isoxazolyl)-3-pyrrolidinopropanamide;1-Pyrrolidinepropanamide, N-(3-phenyl-5-isoxazolyl)-;DTXSID901007012;LS-138117;N-(3-Phenyl-1,2-oxazol-5-yl)-3-(pyrrolidin-1-yl)propanimidic acid

Chemical Property of N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide

Chemical Property:

• Vapor Pressure: 1.01E-11mmHg at 25°C
• Boiling Point: 539.9°C at 760 mmHg
• Flash Point: 280.3°C
• PSA: 58.37000
• Density: 1.208g/cm³
• LogP: 2.77690
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.147726857
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCC(=O)NC2=CC(=NO2)C3=CC=CC=C3

Technology Process of N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide

There total 2 articles about N-(3-Phenyl-5-isoxazolyl)-1-pyrrolidinepropanamide 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: 84.0%

pyrrolidine (123-75-1) + 3-bromo-N-(3-phenyl-5-isoxazolyl)propanamide (86685-03-2) → N-(3-phenyl-5-isoxazolyl)-3-pyrrolidinopropanamide (86683-49-0)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1248/cpb.34.1634

Reference yield:

3-phenyl-isoxazol-5-ylamine (4369-55-5) → N-(3-phenyl-5-isoxazolyl)-3-pyrrolidinopropanamide (86683-49-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / pyridine / CHCl₃ / 3.5 h / Ambient temperature

2: 84 percent / ethanol / 2 h / Heating

With pyridine; In ethanol; chloroform;

DOI:10.1248/cpb.34.1634

Reference yield: 94.0%

N-(3-phenyl-5-isoxazolyl)-3-pyrrolidinopropanamide (86683-49-0) → (3-Phenyl-isoxazol-5-yl)-(3-pyrrolidin-1-yl-propyl)-amine (86684-12-0)

Guidance literature:

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

DOI:10.1248/cpb.34.1634

upstream raw materials:

pyrrolidine

3-bromo-N-(3-phenyl-5-isoxazolyl)propanamide

3-phenyl-isoxazol-5-ylamine

Downstream raw materials:

(3-Phenyl-isoxazol-5-yl)-(3-pyrrolidin-1-yl-propyl)-amine

Benzyl-(3-phenyl-isoxazol-5-yl)-(3-pyrrolidin-1-yl-propyl)-amine

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