Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-

Base Information

• Chemical Name: Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-
• CAS No.: 129112-41-0
• Molecular Formula: C20H19 F3 N4 O
• Molecular Weight: 388.3863
• DSSTox Substance ID: DTXSID30156069
• Nikkaji Number: J272.397B
• Wikidata: Q83024077
• Mol file: 129112-41-0.mol

Synonyms:BRN 3633181;Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-;2-(4-Methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)quinazoline;129112-41-0;C20H19F3N4O;DTXSID30156069;C20-H19-F3-N4-O;LS-140194;2-[4-Methyl-1-piperazinyl]-4-(3-trifluoromethylphenoxy)quinazoline

Chemical Property of Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-

Chemical Property:

• Vapor Pressure: 3.64E-10mmHg at 25°C
• Boiling Point: 500.9°Cat760mmHg
• Flash Point: 256.8°C
• Density: 1.305g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 388.15109573
• Heavy Atom Count: 28
• Complexity: 512

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC(=C4)C(F)(F)F

Technology Process of Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)-

There total 4 articles about Quinazoline, 2-(4-methyl-1-piperazinyl)-4-(3-(trifluoromethyl)phenoxy)- 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: 65.0%

3-Trifluoromethylphenol (98-17-9) + 4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline (39213-06-4) → 2-(4-Methyl-piperazin-1-yl)-4-(3-trifluoromethyl-phenoxy)-quinazoline (129112-41-0)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1248/cpb.38.681

Reference yield:

1-methyl-piperazine (109-01-3) → 2-(4-Methyl-piperazin-1-yl)-4-(3-trifluoromethyl-phenoxy)-quinazoline (129112-41-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / 155 - 160 °C

2: 88 percent / POCl₃ / 130 °C

3: 65 percent / 60percent NaH / dimethylformamide / 60 °C

With sodium hydride; trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1248/cpb.38.681

Reference yield:

2-(4-methylpiperazin-1-yl)quinazolin-4(3H)-one (16822-65-4) → 2-(4-Methyl-piperazin-1-yl)-4-(3-trifluoromethyl-phenoxy)-quinazoline (129112-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / POCl₃ / 130 °C

2: 65 percent / 60percent NaH / dimethylformamide / 60 °C

With sodium hydride; trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1248/cpb.38.681

upstream raw materials:

3-Trifluoromethylphenol

4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline

1-methyl-piperazine

2-(4-methylpiperazin-1-yl)quinazolin-4(3H)-one