2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid

Base Information

• Chemical Name: 2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid
• CAS No.: 31432-65-2
• Molecular Formula: C₁₈H₁₂N₂O₅
• Molecular Weight: 336.304
• Nikkaji Number: J48.220J
• Wikidata: Q76387156
• Mol file: 31432-65-2.mol

Synonyms:BRN 0568016;31432-65-2;2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid;4-Quinolinecarboxylic acid, 2-(5-nitro-2-furyl-1,3-butadienyl)-;2-(4-(5-Nitrofuran-2-yl)buta-1,3-dien-1-yl)quinoline-4-carboxylic acid;LS-141688;2-[4-(5-Nitro-2-furyl)-1,3-butadienyl]-4-quinolinecarboxylic acid;4-Quinolinecarboxylic acid, 2-[4-(5-nitro-2-furanyl)-1,3-butadienyl]-

Chemical Property of 2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid

Chemical Property:

• Vapor Pressure: 1E-14mmHg at 25°C
• Boiling Point: 589.2°Cat760mmHg
• Flash Point: 310.1°C
• PSA: 109.15000
• Density: 1.438g/cm³
• LogP: 4.68400
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 336.07462149
• Heavy Atom Count: 25
• Complexity: 556

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C=CC=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)O

Technology Process of 2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid

There total 2 articles about 2-(5-Nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxylic acid 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: 51.8%

5-nitrofurylacrolein (52661-56-0,1874-22-2) + 2-methylquinoline-4-carboxylic acid (634-38-8) → C18H12N2O5 (31432-65-2)

Guidance literature:

With acetic anhydride; 1.) 130 - 135 deg C, 20 min., 2.) room temp., 96 h;

DOI:10.1007/BF00767842

Reference yield:

→ C18H12N2O5 (31432-65-2)

Guidance literature:

aus 4-Carboxy-chinaldin, β-/5-Nitrofuryl-2/-acrolein/Ac2O anfangs bei 140-145grad;

upstream raw materials:

5-nitrofurylacrolein

2-methylquinoline-4-carboxylic acid

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