N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine

Base Information

• Chemical Name: N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
• CAS No.: 104588-08-1
• Molecular Formula: C20H23N3O
• Molecular Weight: 321.422
• DSSTox Substance ID: DTXSID70560661
• Wikidata: Q82444134
• Mol file: 104588-08-1.mol

Synonyms:104588-08-1;N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine;DTXSID70560661

Chemical Property of N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 321.184112366
• Heavy Atom Count: 24
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1NC2=NC3=CC=CC=C3O2)CCC4=CC=CC=C4

Technology Process of N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine

There total 2 articles about N-[1-(2-Phenylethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine 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:

1-phenethylpiperidin-4-one oxime (79278-71-0) → Benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amine (104588-08-1)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran / Heating

2: Na₂CO₃ / 3-methyl-butan-1-ol / Heating

With lithium aluminium tetrahydride; sodium carbonate; In tetrahydrofuran; i-Amyl alcohol;

DOI:10.1021/jm00123a028

Reference yield:

2-chloro-1,3-benzoxazole (615-18-9) + 4-amino-1-(2-phenylethyl)-piperidine (51448-56-7) → Benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amine (104588-08-1)

Guidance literature:

With sodium carbonate; In i-Amyl alcohol; Heating;

DOI:10.1021/jm00123a028

Reference yield: 85.0%

2-furancarbonyl chloride (527-69-5) + Benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amine (104588-08-1) → Furan-2-carboxylic acid benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amide (117523-75-8)

Guidance literature:

With triethylamine; In chloroform; for 0.5h; Ambient temperature;

DOI:10.1021/jm00123a028

upstream raw materials:

2-chloro-1,3-benzoxazole

4-amino-1-(2-phenylethyl)-piperidine

1-phenethylpiperidin-4-one oxime

Downstream raw materials:

Furan-3-carboxylic acid benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amide

Furan-2-carboxylic acid benzooxazol-2-yl-(1-phenethyl-piperidin-4-yl)-amide

N-Benzooxazol-2-yl-2-methoxy-N-(1-phenethyl-piperidin-4-yl)-acetamide

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