[1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine

Base Information

• Chemical Name: [1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine
• CAS No.: 158958-53-3
• Molecular Formula: C₁₀H₁₆N₄
• Molecular Weight: 192.264
• DSSTox Substance ID: DTXSID00442709
• Wikidata: Q82260146
• ChEMBL ID: CHEMBL4550231
• Mol file: 158958-53-3.mol

Synonyms:158958-53-3;[1-(pyrimidin-2-yl)piperidin-4-yl]methanamine;(1-pyrimidin-2-ylpiperid-4-yl)methylamine;(1-pyrimidin-2-ylpiperidin-4-yl)methanamine;(1-(pyrimidin-2-yl)piperidin-4-yl)methanamine;1-[1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine;(1-PyriMidin-2-ylpiperid-4-yl)MethylaMine, 97per cent;F2189-0589;SCHEMBL1146193;CHEMBL4550231;DTXSID00442709;pyrimidinyl 4-aminomethyl piperidine;AKOS004120159;BB 0248136;VU0494897-1;EN300-173573;C-(1-Pyrimidin-2-yl-piperidin-4-yl)-methylami ne;W-205831

Chemical Property of [1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine

Chemical Property:

• Boiling Point: 358.6±34.0 °C(Predicted)
• PKA: 10.13±0.29(Predicted)
• PSA: 55.04000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 1.41700
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.137496527
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

[1-(pyrimidin-2-yl)piperidin-4-yl]methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CN)C2=NC=CC=N2

Technology Process of [1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine

There total 4 articles about [1-(Pyrimidin-2-yl)piperidin-4-yl]methanamine 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: 48.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + 4-Aminomethylpiperidine (7144-05-0) → 4-(aminomethyl)-1-(2-pyrimidinyl)piperidine (158958-53-3)

Guidance literature:

4-Aminomethylpiperidine; With toluene-4-sulfonic acid; triethylamine; acetophenone; In toluene; for 5h; Reflux; Dean-Stark;

2-chloropyrimidine; In toluene; at 95 ℃; for 18h;

DOI:10.1039/c5ob02630j

Reference yield:

[1-Phenyl-eth-(E)-ylidene]-(1-pyrimidin-2-yl-piperidin-4-ylmethyl)-amine → 4-(aminomethyl)-1-(2-pyrimidinyl)piperidine (158958-53-3)

Guidance literature:

With hydrogenchloride; at 95 ℃; for 6h;

DOI:10.1021/jm9910122

Reference yield:

4-Aminomethylpiperidine (7144-05-0) → 4-(aminomethyl)-1-(2-pyrimidinyl)piperidine (158958-53-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 4-toluenesulfonic acid / toluene / 5 h / Heating

2: Et₃N / toluene / 18 h / 95 °C

3: 5 M aq. HCl / 6 h / 95 °C

With hydrogenchloride; toluene-4-sulfonic acid; triethylamine; In toluene; 1: Condensation / 2: Substitution / 3: Hydrolysis;

DOI:10.1021/jm9910122

upstream raw materials:

4-Aminomethylpiperidine

2-chloropyrimidine

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