(3R)-3-methyl-1-pyridin-2-ylpiperazine

Base Information

• Chemical Name: (3R)-3-methyl-1-pyridin-2-ylpiperazine
• CAS No.: 474417-44-2
• Molecular Formula: C10H15N3
• Molecular Weight: 177.249
• DSSTox Substance ID: DTXSID70364060
• Wikidata: Q82147821
• Mol file: 474417-44-2.mol

Synonyms:474417-44-2;(3R)-3-methyl-1-pyridin-2-ylpiperazine;(R)-3-Methyl-1-(pyridin-2-yl)piperazine;SCHEMBL2244221;DTXSID70364060

Chemical Property of (3R)-3-methyl-1-pyridin-2-ylpiperazine

Chemical Property:

• Vapor Pressure: 0.000382mmHg at 25°C
• Boiling Point: 317.6oC at 760 mmHg
• Flash Point: 145.9oC
• PSA: 28.16000
• Density: 1.036g/cm3
• LogP: 1.27350
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

(3R)-3-METHYL-1-(2-PYRIDINYL)-PIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C2=CC=CC=N2
• Isomeric SMILES: C[C@@H]1CN(CCN1)C2=CC=CC=N2

Technology Process of (3R)-3-methyl-1-pyridin-2-ylpiperazine

There total 2 articles about (3R)-3-methyl-1-pyridin-2-ylpiperazine 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: 89.0%

2-bromo-pyridine (109-04-6) + (2R)-methylpiperazine (75336-86-6) → (3R)-3-methyl-1-(2-pyridinyl)piperazine (474417-44-2)

Guidance literature:

With hydrogenchloride; sodium chloride; sodium hydrogencarbonate; sodium carbonate; In water;

Reference yield: 40.0%

2-chloropyridine (109-09-1) + (2R)-methylpiperazine (75336-86-6) → (3R)-3-methyl-1-(2-pyridinyl)piperazine (474417-44-2)

Guidance literature:

In xylene; at 140 ℃; for 13h;

Reference yield:

cis-4-tert-butylcyclohexylcarbonyl chloride (20451-50-7) + (3R)-3-methyl-1-(2-pyridinyl)piperazine (474417-44-2) → C21H33N3O

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2013.05.020

upstream raw materials:

2-bromo-pyridine

(2R)-methylpiperazine

2-chloropyridine

Downstream raw materials:

C₁₇H₂₅N₃O

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