1-(4-Nitrophenyl)piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(4-Nitrophenyl)piperidine-4-carboxylic acid
• CAS No.: 223786-53-6
• Molecular Formula: C₁₂H₁₄N₂O₄
• Molecular Weight: 250.254
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70377610
• Nikkaji Number: J3.209.443K
• Wikidata: Q82166885
• Mol file: 223786-53-6.mol

Synonyms:1-(4-nitrophenyl)piperidine-4-carboxylic acid;223786-53-6;1-(4-nitrophenyl)-4-piperidinecarboxylic acid;MFCD00664471;N-(4-Nitrophenyl)piperidine-4-carboxylic acid;Oprea1_492432;SCHEMBL27881;DTXSID70377610;ZIRBMAVPCZUDTF-UHFFFAOYSA-N;YIA78653;BBL040913;STK400049;AKOS000152292;AKOS015922614;SB43805;CS-0206298;FT-0678143;1-(4-nitrophenyl)piperidine-4-carboxylicacid;EN300-86817;1-(4-nitrophenyl)piperi dine-4-carboxylic acid;11H-951;W-206757

Chemical Property of 1-(4-Nitrophenyl)piperidine-4-carboxylic acid

Chemical Property:

• Melting Point: 164-166
• Boiling Point: 484.4±40.0 °C(Predicted)
• PKA: 4.49±0.20(Predicted)
• PSA: 86.36000
• Density: 1.346±0.06 g/cm3(Predicted)
• LogP: 2.48400
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.09535693
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Nitrophenyl)piperidine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-Nitrophenyl)piperidine-4-carboxylic acid

There total 8 articles about 1-(4-Nitrophenyl)piperidine-4-carboxylic acid 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: 97.0%

ethyl 1-(4-Nitrophenyl)-4-piperidine carboxylate (216985-30-7) → 1-(4-nitrophenyl)piperidine-4-carboxylic acid (223786-53-6)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 1h; Reflux;

Reference yield: 89.0%

isonipecotic acid (498-94-2) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-(4-nitrophenyl)piperidine-4-carboxylic acid (223786-53-6)

Guidance literature:

Reference yield:

4-chlorobenzonitrile (100-00-5) → 1-(4-nitrophenyl)piperidine-4-carboxylic acid (223786-53-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / ethanol / Reflux

2: sodium hydroxide / ethanol / Reflux

With potassium carbonate; sodium hydroxide; In ethanol;

DOI:10.1021/jm401169a

upstream raw materials:

isonipecotic acid

4-Fluoronitrobenzene

ethyl 1-(4-Nitrophenyl)-4-piperidine carboxylate

4-chlorobenzonitrile

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