cis-4-Anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid

Base Information

• Chemical Name: cis-4-Anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid
• CAS No.: 84176-74-9
• Molecular Formula: C21H26 N2 O2
• Molecular Weight: 338.45
• European Community (EC) Number: 282-341-7
• DSSTox Substance ID: DTXSID401004437
• Nikkaji Number: J330.953C
• Wikidata: Q82999462
• Mol file: 84176-74-9.mol

Synonyms:EINECS 282-341-7;84176-74-9;cis-4-Anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid;DTXSID401004437;NS00058426;4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxylic acid

Chemical Property of cis-4-Anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.79E-11mmHg at 25°C
• Boiling Point: 516°C at 760 mmHg
• Flash Point: 265.9°C
• PSA: 52.57000
• Density: 1.161g/cm³
• LogP: 3.51730
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 338.199428076
• Heavy Atom Count: 25
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CCC3=CC=CC=C3
• Isomeric SMILES: C[C@H]1CN(CC[C@@]1(C(=O)O)NC2=CC=CC=C2)CCC3=CC=CC=C3

Technology Process of cis-4-Anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid

There total 3 articles about cis-4-Anilino-3-methyl-1-phenethylpiperidine-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:

→ (3S,4R)-3-Methyl-1-phenethyl-4-phenylamino-piperidine-4-carboxylic acid (84176-74-9)

Guidance literature:

Amid 9b, KOH (Isolierung als Na-Salz);

Reference yield:

→ trans-3-Methyl-4-anilino-1-(2-phenylethyl)-piperidin-4-carbonsaeure (84176-74-9)

Guidance literature:

4-Carboxamid, 1.) KOH, Ethylenglykol, 2.) HCl;

Reference yield:

→ (3R,4R)-3-Methyl-1-phenethyl-4-phenylamino-piperidine-4-carboxylic acid (84176-74-9)

Guidance literature:

Amid 9a, KOH;

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