N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide

Base Information

• Chemical Name: N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide
• CAS No.: 35763-43-0
• Molecular Formula: C13H17N3O3
• Molecular Weight: 263.296
• DSSTox Substance ID: DTXSID90877243
• Nikkaji Number: J1.584.575I
• Wikidata: Q82858994
• ChEMBL ID: CHEMBL1626378
• Mol file: 35763-43-0.mol

Synonyms:N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide;SCHEMBL3207575;CHEMBL1626378;DTXSID90877243;STK361794;AKOS000564882;35763-43-0;EU-0084558;N-(M-NO2PH)-3-N'-PIPERIDINOACETAMIDE

Chemical Property of N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.12699141
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide

There total 2 articles about N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide 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: 93.0%

piperidine (110-89-4) + chloroacetyl chloride (79-04-9) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide (35763-43-0)

Guidance literature:

chloroacetyl chloride; 3-nitro-aniline; With triethylamine; In tetrahydrofuran; at 20 ℃; for 2.3h; Cooling with ice;

piperidine; In tetrahydrofuran; at 20 ℃; for 14h; Cooling with ice;

DOI:10.1039/c0cc02917c

Reference yield:

piperidine (110-89-4) + 2-chloro-N-(3-nitrophenyl)acetamide (10147-71-4) → N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide (35763-43-0)

Guidance literature:

Reference yield: 99.0%

N-(3-nitrophenyl)-2-(piperidin-1-yl)acetamide (35763-43-0) → N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide (500119-40-4)

Guidance literature:

With 10% palladium on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃;

DOI:10.1039/c0cc02917c

upstream raw materials:

piperidine

2-chloro-N-(3-nitrophenyl)acetamide

chloroacetyl chloride

3-nitro-aniline

Downstream raw materials:

N-(3-aminophenyl)-2-(piperidin-1-yl)acetamide

N-(3-azidophenyl)-2-(piperidin-1-yl)acetamide

C₄₀H₄₂N₁₀O₂

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