2-(4-Methylpiperazin-1-yl)pyrimidine

Base Information

• Chemical Name: 2-(4-Methylpiperazin-1-yl)pyrimidine
• CAS No.: 145208-86-2
• Molecular Formula: C9H14 N4
• Molecular Weight: 178.237
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40438161
• Nikkaji Number: J618.304B
• Wikidata: Q82253809
• ChEMBL ID: CHEMBL130857
• Mol file: 145208-86-2.mol

Synonyms:2-(4-methylpiperazin-1-yl)pyrimidine;145208-86-2;CHEMBL130857;Pyrimidine, 2-(4-methyl-1-piperazinyl)- (9CI);Pyrimidine,2-(4-methyl-1-piperazinyl)-;2-(4-methyl-piperazino)-pyrimidine;SCHEMBL255331;DTXSID40438161;BDBM50473429;1-(Pyrimidin-2-yl)-4-methylpiperazine;FT-0740313;A850541;J-524140;3-{4-[(DIETHYLAMINO)SULFONYL]PHENYL}PROPANOICACID

Chemical Property of 2-(4-Methylpiperazin-1-yl)pyrimidine

Chemical Property:

• PSA: 32.26000
• LogP: 0.23130
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 178.121846464
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methylpiperazin-1-yl)pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC=CC=N2

Technology Process of 2-(4-Methylpiperazin-1-yl)pyrimidine

There total 6 articles about 2-(4-Methylpiperazin-1-yl)pyrimidine 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: 91.0%

methanol (67-56-1) + N-(2-pyridinyl)piperazine (20980-22-7) → 2-(4-methylpiperazin-1-yl)pyrimidine (145208-86-2)

Guidance literature:

With C₅₀H₃₂F₁₂N₄O₄Pd₂; lithium tert-butoxide; tricyclohexylphosphine; at 120 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.9b00983

Reference yield: 79.0%

1-methyl-piperazine (109-01-3) + 2-chloropyrimidine (1722-12-9,1195939-87-7) → 2-(4-methylpiperazin-1-yl)pyrimidine (145208-86-2)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In ethanol; for 3h; Heating;

DOI:10.1016/S0022-2860(96)09384-2

Reference yield: 33.0%

1-methyl-4-((trifluoro-λ4-boranyl)methyl)piperazine potassium (1015484-22-6) + 2-bromopyrimidine (4595-60-2) → 2-(4-methylpiperazin-1-yl)pyrimidine (145208-86-2)

Guidance literature:

With C₅₂H₆₇ClFeNPPd; caesium carbonate; In tetrahydrofuran; water; at 80 ℃; for 12h;

DOI:10.1055/s-0030-1259331

upstream raw materials:

1-methyl-piperazine

2-chloropyrimidine

formaldehyd

N-(2-pyridinyl)piperazine

Downstream raw materials:

2-(4-formyl-1-piperazinyl)primidine

piribedil

Refernces

• 1、 Mamidala, Ramesh,Biswal, Priyabrata,Subramani, M. Siva,Samser, Shaikh,Venkatasubbaiah, Krishnan. "Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol". . p. 10472 - 10480. Retrieved 2019/08/20.
• 2、 -. "Piribedil preparation method". Paragraph 0012; 0013; 0014; 0015. . Retrieved 2017/07/21.