7-Chloro-4-(4-fluorophenyl)quinoline

Base Information

• Chemical Name: 7-Chloro-4-(4-fluorophenyl)quinoline
• CAS No.: 179380-99-5
• Molecular Formula: C15H9ClFN
• Molecular Weight: 257.695
• DSSTox Substance ID: DTXSID80598733
• Nikkaji Number: J2.034.751A
• Wikidata: Q82494531
• Mol file: 179380-99-5.mol

Synonyms:7-Chloro-4-(4-fluorophenyl)quinoline;179380-99-5;SCHEMBL4509324;DTXSID80598733;RJKMNYBNYJYIDZ-UHFFFAOYSA-N

Chemical Property of 7-Chloro-4-(4-fluorophenyl)quinoline

Chemical Property:

• PSA: 12.89000
• LogP: 4.69430
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 257.0407551
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C3C=CC(=CC3=NC=C2)Cl)F

Technology Process of 7-Chloro-4-(4-fluorophenyl)quinoline

There total 4 articles about 7-Chloro-4-(4-fluorophenyl)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: 96.0%

7-chloro-4-iodoquinoline (98591-57-2) + 4-fluoroboronic acid (1765-93-1) → 7-chloro-4-(4-fluorophenyl)quinoline (179380-99-5)

Guidance literature:

With sodium carbonate; palladium diacetate; In water; at 150 ℃; for 0.5h;

DOI:10.1139/v03-187

Reference yield: 71.0%

7-chloro-4-iodoquinoline (98591-57-2) + 2-(4-fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane (225916-39-2) → 7-chloro-4-(4-fluorophenyl)quinoline (179380-99-5)

Guidance literature:

With copper(l) iodide; cesium fluoride; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Glovebox; Inert atmosphere;

DOI:10.1021/ol500310u

Reference yield:

4,7-dichloroquinoline (86-98-6,1138471-54-1) + 4-flourophenylmagnesium bromide (352-13-6) → 7-chloro-4-(4-fluorophenyl)quinoline (179380-99-5)

Guidance literature:

4,7-dichloroquinoline; 4-flourophenylmagnesium bromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃;

With ammonium chloride; In tetrahydrofuran; water;

upstream raw materials:

7-chloro-4-iodoquinoline

4-fluoroboronic acid

4,7-dichloroquinoline

4-flourophenylmagnesium bromide