1-Methyl-4-phenylpiperidin-1-ium-4-carboxylate

Base Information

• Chemical Name: 1-Methyl-4-phenylpiperidin-1-ium-4-carboxylate
• CAS No.: 3627-48-3
• Molecular Formula: C13H17 N O2
• Molecular Weight: 219.283
• Hs Code.: 2933399090
• Mol file: 3627-48-3.mol

Synonyms:

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Chemical Property of 1-Methyl-4-phenylpiperidin-1-ium-4-carboxylate

Chemical Property:

• Vapor Pressure: 7.71E-06mmHg at 25°C
• Boiling Point: 360.9°Cat760mmHg
• Flash Point: 172.1°C
• PSA: 40.54000
• Density: 1.139g/cm³
• LogP: 1.67250
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)[O-]

Technology Process of 1-Methyl-4-phenylpiperidin-1-ium-4-carboxylate

There total 11 articles about 1-Methyl-4-phenylpiperidin-1-ium-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:

pethidine (57-42-1) → 4-phenyl-piperidine-4-carboxylic acid (3627-45-0) + pethidinic acid (3627-48-3) + Normeperidine (77-17-8) + meperidine N-oxide (13147-07-4) + p-hydroxymeperidine (4220-06-8) + N-hydroxynormeperidine

Guidance literature:

metabolism (rat); determination in plasma, blood, urine;

DOI:10.1002/jps.2600700504

Reference yield:

1-methyl-4-phenyl-piperidine-4-carbonitrile (3627-62-1) → pethidinic acid (3627-48-3)

Guidance literature:

With potassium hydroxide; at 160 - 170 ℃;

Reference yield:

(1-methyl-[4]piperidyl)-phenyl ketone; hydrochloride (92039-99-1) → pethidinic acid (3627-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; chlorine / 70 °C

2: NaOH; xylene

With sodium hydroxide; chlorine; acetic acid; xylene;

DOI:10.1021/ja01514a047

upstream raw materials:

1-methyl-4-phenyl-piperidine-4-carbonitrile

(4-chloro-1-methyl-[4]piperidyl)-phenyl ketone

pethidine

tetrachloromethane

Downstream raw materials:

1-methyl-4-phenylpiperidine

1-methyl-4-phenyl-piperidine-4-carbaldehyde

pethidine

1-methyl-4-phenyl-piperidine-4-carbonyl chloride ; hydrochloride

Refernces

• 1、 Lee, Na-Ra,Zhang, Xuan,Darna, Mahesh,Dwoskin, Linda P.,Zheng, Guangrong. "Muscarinic acetylcholine receptor binding affinities of pethidine analogs". . p. 5032 - 5035. Retrieved 2015/11/09.
• 2、 Voldeng,Bradley,Kee,King,Melder. "Synthesis of adamantyl analogs of analgesics.". . p. 1053 - 1055. Retrieved 2007/10/04.