4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
• CAS No.: 109028-09-3
• Molecular Formula: C₁₇H₁₇F₃N₄
• Molecular Weight: 334.344
• UNII: 5TB4SXQ7HG
• DSSTox Substance ID: DTXSID3043730
• Nikkaji Number: J336.559J
• Wikipedia: CGS-12066A
• Wikidata: Q5010989
• Pharos Ligand ID: G72F1JPGANWU
• Metabolomics Workbench ID: 63110
• ChEMBL ID: CHEMBL27403
• Mol file: 109028-09-3.mol

Synonyms:7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolol(1,2-a)quinoxaline;CGS 12066;CGS 12066A;CGS 12066B;CGS 12066B ethanedioate (1:2);CGS-12066A;CGS-12066B

Chemical Property of 4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

Chemical Property:

• PSA: 23.78000
• LogP: 3.26100
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 334.14053105
• Heavy Atom Count: 24
• Complexity: 450

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-METHYL-1-PIPERAZINYL)-7-(TRIFLUOROMETHYL)-PYRROLO[1,2-A]QUINOXALINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4
• Uses: CGS-12066A Maleate Salt displays 5-HT1 activity in mammals affecting mood involved with serotonin regulation.

Technology Process of 4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline

There total 6 articles about 4-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline 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: 93.0%

1-methyl-piperazine (109-01-3) + 4-Chloro-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline (136773-68-7) → 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrolo[1,2-a]quinoxaline (109028-09-3)

Guidance literature:

at 130 ℃; for 6h;

DOI:10.1080/00397919108021054

Reference yield:

1H–1–(4–trifluoromethyl–2–nitrophenyl)pyrrole (136773-58-5) → 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrolo[1,2-a]quinoxaline (109028-09-3)

Guidance literature:

Multi-step reaction with 5 steps

2: 66 percent / 85percent KOH / 2-methyl-propan-2-ol / 1 h / 80 °C

3: 84 percent / K₂CO₃ / dimethylformamide / 1.5 h / 135 °C

4: 72 percent / POCl₃ / 4 h / 120 °C

5: 93 percent / 6 h / 130 °C

With potassium hydroxide; potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1080/00397919108021054

Reference yield:

1-<2-nitro-4-(trifluoromethyl)phenyl>-1H-pyrrole-2-carbonitrile (136773-59-6) → 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrolo[1,2-a]quinoxaline (109028-09-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 66 percent / 85percent KOH / 2-methyl-propan-2-ol / 1 h / 80 °C

2: 84 percent / K₂CO₃ / dimethylformamide / 1.5 h / 135 °C

3: 72 percent / POCl₃ / 4 h / 120 °C

4: 93 percent / 6 h / 130 °C

With potassium hydroxide; potassium carbonate; trichlorophosphate; In N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1080/00397919108021054

upstream raw materials:

1-methyl-piperazine

4-Chloro-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline

7-(trifluoromethyl)pyrrolo<1,2-a>quinoxalin-4(5H)-one

1H–1–(4–trifluoromethyl–2–nitrophenyl)pyrrole