2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline

Base Information

• Chemical Name: 2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline
• CAS No.: 401567-76-8
• Molecular Formula: C₁₅H₁₃F₆N₃
• Molecular Weight: 349.279
• Hs Code.: 2933499090
• ChEMBL ID: CHEMBL4533927
• DSSTox Substance ID: DTXSID70469867
• Wikidata: Q82297778
• Mol file: 401567-76-8.mol

Synonyms:401567-76-8;2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline;4-piperazin-1-yl-2,8-bis(trifluoromethyl)quinoline;4-(PIPERAZIN-1-YL)-2,8-BIS(TRIFLUOROMETHYL)QUINOLINE;SCHEMBL2711670;CHEMBL4533927;DTXSID70469867;MFCD07700226;AB42121;1-[2,8-bis(trifluoromethyl)-4-quinolyl]piperazine;Quinoline, 4-(1-piperazinyl)-2,8-bis(trifluoromethyl)-

Chemical Property of 2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 405.7°Cat760mmHg
• Flash Point: 199.2°C
• PSA: 28.16000
• Density: 1.385g/cm³
• LogP: 4.07580
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 349.10136640
• Heavy Atom Count: 24
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F

Technology Process of 2,8-Bis(trifluoromethyl)-4-(piperazin-1-yl)quinoline

There total 4 articles about 2,8-Bis(trifluoromethyl)-4-(piperazin-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: 92.0%

piperazine (110-85-0) + (2,8-bis-trifluoromethyl)-4-bromoquinoline (35853-45-3) → 4-(piperazin-1-yl)-2,8-bis(trifluoromethyl)quinoline (401567-76-8)

Guidance literature:

With potassium carbonate; triethylamine; at 135 ℃; for 4h;

DOI:10.1016/j.bcp.2005.10.023

Reference yield: 56.0%

piperazine (110-85-0) + 2,8-bis-(trifluoromethyl)-4-chloro-quinoline (83012-13-9) → 4-(piperazin-1-yl)-2,8-bis(trifluoromethyl)quinoline (401567-76-8)

Guidance literature:

piperazine; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 0 - 20 ℃; for 1.25h;

2,8-bis-(trifluoromethyl)-4-chloro-quinoline; In dimethyl sulfoxide; mineral oil; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2019.01.044

Reference yield:

2,8-bis(trifluoromethyl)quinolin-4-ol (35853-41-9) → 4-(piperazin-1-yl)-2,8-bis(trifluoromethyl)quinoline (401567-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trichlorophosphate / 4 h / 80 °C

2.1: sodium hydride / dimethyl sulfoxide; mineral oil / 1.25 h / 0 - 20 °C

2.2: 24 h / 20 °C

With sodium hydride; trichlorophosphate; In dimethyl sulfoxide; mineral oil;

DOI:10.1016/j.bmc.2019.01.044

upstream raw materials:

piperazine

(2,8-bis-trifluoromethyl)-4-bromoquinoline

2,8-bis(trifluoromethyl)quinolin-4-ol

2,8-bis-(trifluoromethyl)-4-chloro-quinoline