4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester

Base Information

• Chemical Name: 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester
• CAS No.: 28030-27-5
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• DSSTox Substance ID: DTXSID10338846
• Nikkaji Number: J104.326I
• Wikidata: Q82107512
• Mol file: 28030-27-5.mol

Synonyms:28030-27-5;methyl 1-methyl-4-phenylpiperidine-4-carboxylate;4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester;Isonipecotic acid, 1-methyl-4-phenyl-, methyl ester;Oprea1_118038;SCHEMBL14534189;DTXSID10338846;1-Methyl-4-phenylisonipecotic acid methyl ester;Methyl 1-methyl-4-phenyl-4-piperidinecarboxylate #;4-(Carboxylate methyl ester)-4-phenyl-1-methylpiperidine;Pethidine Acid Methyl Ester (Meperidine Acid Methyl Ester;Methyl 1-Methyl-4-phenylpiperidine-4-carboxylate);Methyl 1-Methyl-4-phenylpiperidine-4-carboxylate) 0.1 mg/ml in Methanol

Chemical Property of 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester

Chemical Property:

• Melting Point: 62-63.5 °C
• Boiling Point: 312.7±42.0 °C(Predicted)
• PKA: 7.76±0.10(Predicted)
• PSA: 29.54000
• Density: 1.071±0.06 g/cm3(Predicted)
• LogP: 1.76090
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.141578849
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)(C2=CC=CC=C2)C(=O)OC

Technology Process of 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester

There total 9 articles about 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, methyl ester 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:

4-bromo-2-(2-bromo-ethyl)-2-phenyl-butyric acid methyl ester + methylamine (74-89-5) → 1-methyl-4-phenyl-piperidine-4-carboxylic acid methyl ester (28030-27-5)

Guidance literature:

With methanol; at 130 ℃;

DOI:10.1039/jr9450000315

Reference yield:

4-carboxy-1,1-dimethyl-4-phenyl-piperidinium betaine (497848-05-2) → 1-methyl-4-phenyl-piperidine-4-carboxylic acid methyl ester (28030-27-5)

Guidance literature:

at 250 ℃; unter vermindertem Druck;

DOI:10.1002/hlca.19490320736

Reference yield:

→ 1-methyl-4-phenyl-piperidine-4-carboxylic acid methyl ester (28030-27-5)

Guidance literature:

With methanol;

upstream raw materials:

4-carboxy-1,1-dimethyl-4-phenyl-piperidinium betaine

methylamine

4-dimethylamino-2-phenyl-butyronitrile

4-cyano-1,1-dimethyl-4-phenyl-piperidinium; bromide

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