4-(3-Chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile

Base Information

• Chemical Name: 4-(3-Chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile
• CAS No.: 915369-48-1
• Molecular Formula: C₁₆H₈ClFN₄O₃
• Molecular Weight: 358.716
• DSSTox Substance ID: DTXSID701140856
• Mol file: 915369-48-1.mol

Synonyms:SCHEMBL4960545;MARSQVCSUZGUHL-UHFFFAOYSA-N;DTXSID701140856;4-(3-chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile;915369-48-1;4-[(3-Chloro-4-fluorophenyl)amino]-8-hydroxy-6-nitro-3-quinolinecarbonitrile

Chemical Property of 4-(3-Chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 358.0268960
• Heavy Atom Count: 25
• Complexity: 553

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC2=C3C=C(C=C(C3=NC=C2C#N)O)[N+](=O)[O-])Cl)F

Technology Process of 4-(3-Chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile

There total 1 articles about 4-(3-Chloro-4-fluorophenylamino)-8-hydroxy-6-nitroquinoline-3-carbonitrile 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: 71.0%

C17H10ClFN4O3 (915369-09-4) → C16H8ClFN4O3 (915369-48-1)

Guidance literature:

With pyridine hydrochloride; In N,N-dimethyl-formamide; at 200 ℃; for 0.583333h; microwave irradiation;

DOI:10.1021/jm070436q

Reference yield: 99.0%

C16H8ClFN4O3 (915369-48-1) → 6-amino-4-[(3-chloro-4-fluorophenyl)amino]-8-hydroxyquinoline-3-carbonitrile

Guidance literature:

With ethanol; tin(ll) chloride; at 110 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1021/jm070436q

Reference yield: 75.0%

C16H8ClFN4O3 (915369-48-1) + allyl bromide (106-95-6) → 4-[(3-chloro-4-fluorophenyl)amino]-8-allyloxy-6-nitroquinoline-3-carbonitrile

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jm070436q

upstream raw materials:

C₁₇H₁₀ClFN₄O₃