2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline

Base Information

• Chemical Name: 2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline
• CAS No.: 5008-26-4
• Molecular Formula: C₁₈H₂₅IO₆
• Molecular Weight: 464.297
• DSSTox Substance ID: DTXSID40409558
• Mol file: 5008-26-4.mol

Synonyms:5008-26-4;DTXSID40409558;2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline

Chemical Property of 2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline

Chemical Property:

• Vapor Pressure: 1.04E-08mmHg at 25°C
• Boiling Point: 461.9°C at 760 mmHg
• Flash Point: 233.1°C
• Density: 1.315g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 405.1219598
• Heavy Atom Count: 28
• Complexity: 512

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(C2=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl

Technology Process of 2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline

There total 3 articles about 2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}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:

5-iodoisophthalic acid (51839-16-8) → 3-Jod-5-propoxycarbonyl-benzoesaeure-<1,3-diaethoxy-propyl-(2)-ester> (5008-26-4)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl

2: aq. NaOH / dimethylformamide

3: dimethylformamide

With hydrogenchloride; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00319a050

Reference yield:

5-Jod-isophthalsaeure-di-n-propylester (4862-97-9) → 3-Jod-5-propoxycarbonyl-benzoesaeure-<1,3-diaethoxy-propyl-(2)-ester> (5008-26-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / dimethylformamide

2: dimethylformamide

With sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00319a050

Reference yield:

1,3-Diethoxy-2-propyl-p-tosylat (85608-71-5) + 5-Jod-isophthalsaeure-mono-propylester-mononatriumsalz (4980-89-6) → 3-Jod-5-propoxycarbonyl-benzoesaeure-<1,3-diaethoxy-propyl-(2)-ester> (5008-26-4)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1021/jm00319a050

upstream raw materials:

1,3-Diethoxy-2-propyl-p-tosylat

5-Jod-isophthalsaeure-mono-propylester-mononatriumsalz

5-iodoisophthalic acid

5-Jod-isophthalsaeure-di-n-propylester