4-Methyl-2-(4-methylpiperazin-1-yl)quinoline

Base Information

• Chemical Name: 4-Methyl-2-(4-methylpiperazin-1-yl)quinoline
• CAS No.: 100949-89-1
• Molecular Formula: C₁₅H₁₉N₃
• Molecular Weight: 241.336
• DSSTox Substance ID: DTXSID40353643
• Wikidata: Q82131351
• ChEMBL ID: CHEMBL1410648

Synonyms:4-methyl-2-(4-methylpiperazin-1-yl)quinoline;100949-89-1;4-methyl-2-(4-methylpiperazino)quinoline;Oprea1_453764;Oprea1_822259;MLS001166312;SCHEMBL5910282;CHEMBL1410648;DTXSID40353643;HMS2856P13;MFCD00817928;STL332568;AKOS001678265;4N-537S;CCG-112095;NCGC00246546-01;SMR000549895;VU0023733-3;EN300-235992;AB00088922-01;SR-01000493929;SR-01000493929-1;F1022-0013

Chemical Property of 4-Methyl-2-(4-methylpiperazin-1-yl)quinoline

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.157897619
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-2-(4-methylpiperazin-1-yl)quinoline 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC2=CC=CC=C12)N3CCN(CC3)C
• Uses: 4-Methyl-2-(4-methylpiperazin-1-yl)quinoline is used as a reactant in the preparation of an antagonist that selectively modulates native TRPC4/C5 ion channels.

Technology Process of 4-Methyl-2-(4-methylpiperazin-1-yl)quinoline

There total 2 articles about 4-Methyl-2-(4-methylpiperazin-1-yl)quinoline 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: 98.0%

1-methyl-piperazine (109-01-3) + 2-chloro-4-methylquinoline (634-47-9) → 4-methyl-2-(4-methylpiperazin-1-yl)quinoline (100949-89-1)

Guidance literature:

at 100 ℃; for 16h;

DOI:10.1021/jm050103y

Reference yield:

→ 4-methyl-2-(4-methylpiperazin-1-yl)quinoline (100949-89-1)

Guidance literature:

Reference yield:

4-methyl-2-(4-methylpiperazin-1-yl)quinoline (100949-89-1) → 2-(4-chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-acetamide

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / HNO₃ / 1 h / 0 °C

2: 97 percent / H₂ / Pd/C / tetrahydrofuran / 24 h / 760 Torr

3: CH₂Cl₂ / 3 h

With hydrogen; nitric acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm050103y

upstream raw materials:

1-methyl-piperazine

2-chloro-4-methylquinoline

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