2-(4-Methyl-piperidin-1-yl)-phenylamine

Base Information

• Chemical Name: 2-(4-Methyl-piperidin-1-yl)-phenylamine
• CAS No.: 252758-94-4
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID901287068
• ChEMBL ID: CHEMBL1542858
• Mol file: 252758-94-4.mol

Synonyms:2-(4-methylpiperidin-1-yl)aniline;252758-94-4;2-(4-Methyl-piperidin-1-yl)-phenylamine;2-(4-methyl-1-piperidinyl)aniline;SMR000035930;MLS000080408;MFCD04166381;SCHEMBL397811;cid_663698;CHEMBL1542858;BDBM47700;DTXSID901287068;HMS2421O16;CKA75894;[2-(4-methylpiperidino)phenyl]amine;STK141997;AKOS000111299;2-(4-Methyl-1-piperidinyl)benzenamine;SB41490;DS-18847;SY237452;BB 0245691;CS-0152678;C74312;F1911-3705

Chemical Property of 2-(4-Methyl-piperidin-1-yl)-phenylamine

Chemical Property:

• Boiling Point: 319.2±25.0 °C(Predicted)
• PKA: 8.34±0.40(Predicted)
• PSA: 29.26000
• Density: 1.034±0.06 g/cm3(Predicted)
• LogP: 3.15130
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

2-(4-methylpiperidin-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)C2=CC=CC=C2N

Technology Process of 2-(4-Methyl-piperidin-1-yl)-phenylamine

There total 4 articles about 2-(4-Methyl-piperidin-1-yl)-phenylamine 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:

4-methyl-1-(2-nitrophenyl)piperidine (78019-78-0) → 2-(4-methylpiperidin-1-yl)aniline (252758-94-4)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; ethyl acetate; under 760.051 Torr;

DOI:10.1016/j.bmcl.2007.09.057

Reference yield:

4-methylpiperidin (626-58-4) → 2-(4-methylpiperidin-1-yl)aniline (252758-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; hexamethylenetetramine; copper(l) iodide / N,N-dimethyl-formamide / 24 h / 130 °C

2: hydrazine hydrate; 5%-palladium/activated carbon / ethanol / 8.5 h / Reflux

With copper(l) iodide; hexamethylenetetramine; 5%-palladium/activated carbon; potassium carbonate; hydrazine hydrate; In ethanol; N,N-dimethyl-formamide;

DOI:10.3390/molecules20034071

Reference yield:

2-Chloronitrobenzene (88-73-3) → 2-(4-methylpiperidin-1-yl)aniline (252758-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; hexamethylenetetramine; copper(l) iodide / N,N-dimethyl-formamide / 24 h / 130 °C

2: hydrazine hydrate; 5%-palladium/activated carbon / ethanol / 8.5 h / Reflux

With copper(l) iodide; hexamethylenetetramine; 5%-palladium/activated carbon; potassium carbonate; hydrazine hydrate; In ethanol; N,N-dimethyl-formamide;

DOI:10.3390/molecules20034071

upstream raw materials:

4-methyl-1-(2-nitrophenyl)piperidine

2-Chloronitrobenzene

4-methylpiperidin

ortho-nitrofluorobenzene

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