1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide

Base Information

• Chemical Name: 1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide
• CAS No.: 1045-51-8
• Molecular Formula: C19H22 Cl N3 O
• Molecular Weight: 343.856
• Hs Code.: 2933399090
• European Community (EC) Number: 213-875-0
• NSC Number: 81277
• UNII: 9GL8XM96T9
• DSSTox Substance ID: DTXSID20146510
• Nikkaji Number: J217.162G
• Wikidata: Q83011336
• Mol file: 1045-51-8.mol

Synonyms:1045-51-8;1-BENZYL-4-[(4-CHLOROPHENYL)AMINO]PIPERIDINE-4-CARBOXAMIDE;1-benzyl-4-(4-chloroanilino)piperidine-4-carboxamide;1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carboxamide;9GL8XM96T9;EINECS 213-875-0;NSC-81277;C19H22ClN3O;NSC81277;UNII-9GL8XM96T9;SCHEMBL654357;DTXSID20146510;NSC 81277;4-(4-chloro-phenyl-amino)-1-(phenylmethyl)-4-piperidine-carboxamide;4-[(4-Chlorophenyl)amino]-1-phenylmethyl-4-piperidinecarboxamide;1-Benzyl-4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid amide;4-((4-CHLOROPHENYL)AMINO)-1-(PHENYLMETHYL)-4-PIPERIDINECARBOXAMIDE;4-PIPERIDINECARBOXAMIDE, 4-((4-CHLOROPHENYL)AMINO)-1-(PHENYLMETHYL)-

Chemical Property of 1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide

Chemical Property:

• Vapor Pressure: 1.5E-12mmHg at 25°C
• Boiling Point: 559.5°Cat760mmHg
• Flash Point: 292.2°C
• PSA: 58.36000
• Density: 1.275g/cm³
• LogP: 3.98320
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 343.1451400
• Heavy Atom Count: 24
• Complexity: 409

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(C(=O)N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Technology Process of 1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide

There total 4 articles about 1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide 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: 90.0%

1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carbonitrile (972-20-3) → 1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid amide (1045-51-8)

Guidance literature:

With sulfuric acid; at 20 ℃; for 18h;

DOI:10.1021/acs.jmedchem.8b00278

Reference yield:

4-chloro-aniline (106-47-8) → 1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid amide (1045-51-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 20 °C / Inert atmosphere

2: sulfuric acid / 24 h / 20 °C

With sulfuric acid; acetic acid;

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid amide (1045-51-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 20 °C / Inert atmosphere

2: sulfuric acid / 24 h / 20 °C

With sulfuric acid; acetic acid;

upstream raw materials:

1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carbonitrile

4-chloro-aniline

1-phenylmethyl-4-piperidone

Downstream raw materials:

4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid amide

1-benzyl-4-(4-chloro-phenylamino)-piperidine-4-carboxylic acid methyl ester

8-benzyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-benzyl-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one