N-methylquipazine

Base Information

• Chemical Name: N-methylquipazine
• CAS No.: 28614-26-8
• Molecular Formula: C₁₄H₁₇N₃
• Molecular Weight: 227.309
• Hs Code.: 2933990090
• UNII: 0YV1ZIR6S0
• DSSTox Substance ID: DTXSID8043731
• Nikkaji Number: J366.838J
• Wikidata: Q27133086
• Pharos Ligand ID: NWZWZ9TYUB4S
• Metabolomics Workbench ID: 63199
• ChEMBL ID: CHEMBL288591
• Mol file: 28614-26-8.mol

Synonyms:2-(1-(4-methyl)-piperazinyl)quinoline;N-methylquipazine

Chemical Property of N-methylquipazine

Chemical Property:

• Vapor Pressure: 5.84E-06mmHg at 25°C
• Boiling Point: 379.5°Cat760mmHg
• Flash Point: 183.3°C
• PSA: 168.57000
• Density: g/cm³
• LogP: 1.41310
• Storage Temp.: 2-8°C
• Solubility.: 0.1 M HCl: soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 227.142247555
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

N-Methylquipazine dimaleate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2
• Uses: N-Methylquipazine dimaleate is a SR-3 agonist.

Technology Process of N-methylquipazine

There total 3 articles about N-methylquipazine 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: 82.0%

1-methyl-piperazine (109-01-3) + 2-Chloroquinoline (612-62-4) → 2-(4-methyl-piperazin-1-yl)-quinoline (28614-26-8)

Guidance literature:

With C₅₀H₆₁Cl₂N₃Pd; potassium tert-butylate; In 1,4-dioxane; at 100 ℃; for 2h;

DOI:10.1021/acs.joc.8b01205

Reference yield: 36.0%

1-methyl-piperazine (109-01-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + Acetanilid (103-84-4) → 2-(4-methyl-piperazin-1-yl)-quinoline (28614-26-8)

Guidance literature:

With phosphorus pentoxide; at 250 ℃; for 4h;

Reference yield:

→ 2-(4-methyl-piperazin-1-yl)-quinoline (28614-26-8)

Guidance literature:

upstream raw materials:

1-methyl-piperazine

N,N-dimethyl-formamide

Acetanilid

2-Chloroquinoline

Downstream raw materials:

2-(piperazin-1-yl)quinoline

Refernces

• 1、 -. "Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use". Page/Page column 11. . Retrieved 2010/02/17.
• 2、 Jensen, Jorgen A.,Pedersen, Erik B.. "Phosphorus Pentoxide in Organic Synthesis XXXII A New Synthesis of Quipazine and Its N-Methyl Derivatives". . p. 1088 - 1092. Retrieved 2007/10/02.