1-Methyl-4-(1-(pyridin-2-yl)ethyl)piperazine

Base Information

• Chemical Name: 1-Methyl-4-(1-(pyridin-2-yl)ethyl)piperazine
• CAS No.: 100158-57-4
• Molecular Formula: C11H17 N3
• Molecular Weight: 191.276
• DSSTox Substance ID: DTXSID00695692
• Mol file: 100158-57-4.mol

Synonyms:1-methyl-4-(1-(pyridin-2-yl)ethyl)piperazine;100158-57-4;1-Methyl-4-[1-(pyridin-2-yl)ethyl]piperazine;DTXSID00695692

Chemical Property of 1-Methyl-4-(1-(pyridin-2-yl)ethyl)piperazine

Chemical Property:

• PSA: 19.37000
• LogP: 1.26580
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.157897619
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=N1)N2CCN(CC2)C

Technology Process of 1-Methyl-4-(1-(pyridin-2-yl)ethyl)piperazine

There total 1 articles about 1-Methyl-4-(1-(pyridin-2-yl)ethyl)piperazine 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: 78.0%

1-methyl-piperazine (109-01-3) + 2-chloromethylpyridine hydrochloride (6959-47-3) → 1-methyl-4-(pyridin-2-ylmethyl)piperazine (100158-57-4)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02898

Reference yield: 94.0%

1-bromo-4-methoxy-benzene (104-92-7) + 1-methyl-4-(pyridin-2-ylmethyl)piperazine (100158-57-4) → 1-((4-methoxyphenyl)(pyridin-2-yl)methyl)-4-methylpiperazine

Guidance literature:

With palladium diacetate; lithium hexamethyldisilazane; nixantphos; In 1,4-dioxane; at 65 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.5b02898

Reference yield: 94.0%

1-methyl-4-(pyridin-2-ylmethyl)piperazine (100158-57-4) + 1-Bromo-4-fluorobenzene (460-00-4) → 1-((4-fluorophenyl)(pyridin-2-yl)methyl)-4-methylpiperazine

Guidance literature:

With palladium diacetate; lithium hexamethyldisilazane; nixantphos; In 1,4-dioxane; at 65 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.5b02898

upstream raw materials:

1-methyl-piperazine

2-chloromethylpyridine hydrochloride

Refernces

• 1、 Kim, Byeong-Seon,Jiménez, Jacqueline,Gao, Feng,Walsh, Patrick J.. "Palladium-Catalyzed Benzylic C-H Arylation of Azaarylmethylamines". supporting information. p. 5788 - 5791. Retrieved 2015/12/11.