4-amino-N-phenylpiperidine-1-carboxamide

Base Information

• Chemical Name: 4-amino-N-phenylpiperidine-1-carboxamide
• CAS No.: 937602-01-2
• Molecular Formula: C₁₂H₁₇N₃O
• Molecular Weight: 219.286
• Hs Code.: 2933399090
• European Community (EC) Number: 801-867-5
• DSSTox Substance ID: DTXSID301276504
• Mol file: 937602-01-2.mol

Synonyms:937602-01-2;4-amino-N-phenylpiperidine-1-carboxamide;4-AMINO-N-PHENYL-1-PIPERIDINECARBOXAMIDE;4-AMINO-N-PHENYL-1-PIPERIDINECARBOXAMIDE 95%;SCHEMBL7465149;4-amino-N-phenyl-1-piperidinecarboxamide(SALTDATA: HCl);DTXSID301276504;AKOS000263878;EN300-49381;F21219;A917101;4-Amino-N-phenyl-1-piperidinecarboxamide, AldrichCPR

Chemical Property of 4-amino-N-phenylpiperidine-1-carboxamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 432.684°C at 760 mmHg
• Flash Point: 215.48°C
• PSA: 58.36000
• Density: 1.194g/cm³
• LogP: 3.15480
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.137162174
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

4-amino-N-phenylpiperidine-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N)C(=O)NC2=CC=CC=C2

Technology Process of 4-amino-N-phenylpiperidine-1-carboxamide

There total 3 articles about 4-amino-N-phenylpiperidine-1-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:

C17H25N3O3 → C12H17N3O (937602-01-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃;

DOI:10.1002/cmdc.201800739

Reference yield:

(piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) → C12H17N3O (937602-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 20 °C

2: trifluoroacetic acid / dichloromethane / 0 °C

With trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/cmdc.201800739

Reference yield:

phenyl isocyanate (103-71-9) → C12H17N3O (937602-01-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 20 °C

2: trifluoroacetic acid / dichloromethane / 0 °C

With trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1002/cmdc.201800739

upstream raw materials:

(piperidin-4-yl)carbamic acid tert-butyl ester

phenyl isocyanate