Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)-

Base Information

• Chemical Name: Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)-
• CAS No.: 76167-79-8
• Molecular Formula: C₁₇H₂₂N₄
• Molecular Weight: 282.388
• DSSTox Substance ID: DTXSID50227028
• Nikkaji Number: J70.290K
• Wikidata: Q83106636
• Mol file: 76167-79-8.mol

Synonyms:2-(N-(1-Benzyl-4-piperidyl)methylamino)pyrimidine;Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)-;76167-79-8;N-(1-benzylpiperidin-4-yl)-N-methylpyrimidin-2-amine;DTXSID50227028;LS-134671;N-(1-Benzyl-4-piperidyl)-N-methyl-2-pyrimidinamine

Chemical Property of Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)-

Chemical Property:

• Vapor Pressure: 1.94E-07mmHg at 25°C
• Boiling Point: 425.3°Cat760mmHg
• Flash Point: 211°C
• Density: 1.149g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.18444672
• Heavy Atom Count: 21
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCN(CC1)CC2=CC=CC=C2)C3=NC=CC=N3

Technology Process of Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)-

There total 3 articles about Pyrimidine, 2-(N-(1-benzyl-4-piperidyl)methylamino)- 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: 60.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + 1-benzyl-N-methylpiperidin-4-amine (7006-50-0) → (1-Benzyl-piperidin-4-yl)-methyl-pyrimidin-2-yl-amine (76167-79-8)

Guidance literature:

With potassium carbonate; In xylene; for 24h; Heating;

Reference yield:

4-amino-1-benzylpiperidine (50541-93-0) → (1-Benzyl-piperidin-4-yl)-methyl-pyrimidin-2-yl-amine (76167-79-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent / NaOH / H₂O / 2 h / 5 - 10 °C

2: 91 percent / LiAlH₄ / diethyl ether / 15 h / Heating

3: 60 percent / K₂CO₃ / xylene / 24 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; water; xylene;

Reference yield:

ethyl (1-phenylmethyl-4-piperidyl)carbamate (64951-37-7) → (1-Benzyl-piperidin-4-yl)-methyl-pyrimidin-2-yl-amine (76167-79-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / LiAlH₄ / diethyl ether / 15 h / Heating

2: 60 percent / K₂CO₃ / xylene / 24 h / Heating

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; xylene;

upstream raw materials:

2-chloropyrimidine

1-benzyl-N-methylpiperidin-4-amine

4-amino-1-benzylpiperidine

ethyl (1-phenylmethyl-4-piperidyl)carbamate