1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid methyl ester

Base Information

• Chemical Name: 1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid methyl ester
• CAS No.: 61085-55-0
• Molecular Formula: C21H26N2O2
• Molecular Weight: 338.45
• DSSTox Substance ID: DTXSID101342802
• Nikkaji Number: J3.286.034F

Synonyms:61085-55-0;1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid methyl ester;methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate;methyl 4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate;4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylic acid, methyl ester;Despropionyl Carfentanil;SCHEMBL9737959;IFQWTLUCYHGSSI-UHFFFAOYSA-N;DTXSID101342802;AKOS005067496

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Chemical Property of 1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 338.199428076
• Heavy Atom Count: 25
• Complexity: 406

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)NC3=CC=CC=C3
• Use Description: 4-Piperidinecarboxylic acid, 4-(phenylamino)-1-(2-phenylethyl)-, methyl ester, is a chemical compound that may have applications in various fields. In the pharmaceutical industry, it could serve as a precursor or intermediate in the synthesis of pharmaceutical compounds, potentially contributing to drug development and manufacturing processes. Its unique chemical structure suggests it may be involved in the creation of drug candidates with specific pharmacological properties. Additionally, in the field of organic chemistry, it can be used as a building block for the synthesis of complex organic molecules, aiding researchers in the development of new materials, catalysts, and specialty chemicals. While specific uses may vary depending on research and development needs, its primary significance likely lies in drug discovery and organic synthesis, making it a valuable tool for pharmaceutical researchers and chemists.

Technology Process of 1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid methyl ester

There total 16 articles about 1-Phenethyl-4-(phenylamino)piperidine-4-carboxylic acid 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: 91.0%

methanol (67-56-1) + 2,2,2-trifluoro-N-phenylacetamide (404-24-0) + C14H17BrClNO → methyl 4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate (61085-55-0)

Guidance literature:

2,2,2-trifluoro-N-phenylacetamide; With methanesulfonic acid; In methanol; at 0 ℃;

methanol; C₁₄H₁₇BrClNO; In methanol; at 10 - 20 ℃;

Reference yield: 91.0%

methanol (67-56-1) + phenyl toluenesulfonamide (68-34-8) + C14H17BrClNO → methyl 4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate (61085-55-0)

Guidance literature:

phenyl toluenesulfonamide; With trifluorormethanesulfonic acid; acetic acid; at 0 - 5 ℃;

methanol; C₁₄H₁₇BrClNO; at 10 - 20 ℃;

Reference yield: 66.0%

1-(2-phenylethyl)-4,4-(2-phenyl-2,4-diaza-4-oxo-cyclopentane)piperidine (1529791-03-4) → methyl 4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate (61085-55-0)

Guidance literature:

With sulfuric acid; In methanol; at 95 ℃; for 16h;

upstream raw materials:

methanol

1-(2-phenylethyl)-4,4-(2-phenyl-2,4-diaza-4-oxo-cyclopentane)piperidine

1-phenylethyl-4-(phenylamino)piperidine-4-carbonitrile

4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxamide

Downstream raw materials:

carfentanil