Ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate
• CAS No.: 216985-30-7
• Molecular Formula: C14H18N2O4
• Molecular Weight: 278.308
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60383861
• Wikidata: Q82175662
• ChEMBL ID: CHEMBL1327974
• Mol file: 216985-30-7.mol

Synonyms:216985-30-7;ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate;ethyl 1-(4-nitrophenyl)-4-piperidinecarboxylate;4-Piperidinecarboxylic acid, 1-(4-nitrophenyl)-, ethyl ester;Maybridge1_000589;Oprea1_400556;SCHEMBL27774;MLS000687838;CHEMBL1327974;HMS543C17;1-(4-nitrophenyl)piperidine-4-carboxylic acid ethyl ester;DTXSID60383861;DYEIOUCEYOYBPG-UHFFFAOYSA-N;1-(4-Nitro-phenyl)-piperidine-4-carboxylic acid ethyl ester;HMS2589M12;MFCD00205918;STL412537;AKOS000599852;SB44102;SMR000284860;CS-0314195;ethyl1-(4-nitrophenyl)piperidine-4-carboxylate;5T-0254;J-520493

Chemical Property of Ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate

Chemical Property:

• PSA: 75.36000
• LogP: 2.96250
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.12665706
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl1-(4-Nitrophenyl)-4-piperidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: Ethyl 1-(4-Nitrophenyl)-4-piperidinecarboxylate is used in preparation of Imidazopyridazine derivatives as PDE10a inhibitors for the treatment of diabetes.

Technology Process of Ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate

There total 3 articles about Ethyl 1-(4-nitrophenyl)piperidine-4-carboxylate 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: 95.0%

4-carbethoxypiperidine (1126-09-6) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → ethyl 1-(4-Nitrophenyl)-4-piperidine carboxylate (216985-30-7)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 55 ℃; for 15h;

DOI:10.1039/c3md00250k

Reference yield: 95.0%

→ ethyl 1-(4-Nitrophenyl)-4-piperidine carboxylate (216985-30-7)

Guidance literature:

Reference yield:

4-carbethoxypiperidine (1126-09-6) + 4-chlorobenzonitrile (100-00-5) → ethyl 1-(4-Nitrophenyl)-4-piperidine carboxylate (216985-30-7)

Guidance literature:

With potassium carbonate; In ethanol; Reflux;

DOI:10.1021/jm401169a

upstream raw materials:

4-carbethoxypiperidine

4-Fluoronitrobenzene

4-chlorobenzonitrile