4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)quinoline

Base Information

• Chemical Name: 4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)quinoline
• CAS No.: 31432-69-6
• Molecular Formula: C₁₇H₁₀Cl₂N₂O₃
• Molecular Weight: 361.184
• Nikkaji Number: J48.224B
• Wikidata: Q76387157
• Mol file: 31432-69-6.mol

Synonyms:BRN 5122098;31432-69-6;4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)quinoline;Quinoline, 4,7-dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)-;Quinoline, 4,7-dichloro-2-[4-(5-nitro-2-furyl)-1,3-butadienyl]-;LS-141809;4,7-Dichloro-2-[4-(5-nitro-2-furyl)-1,3-butadienyl]quinoline

Chemical Property of 4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)quinoline

Chemical Property:

• Vapor Pressure: 1.8E-11mmHg at 25°C
• Melting Point: 207-208 °C(Solv: N,N-dimethylformamide (68-12-2))
• Boiling Point: 547.2°Cat760mmHg
• PKA: 1.36±0.61(Predicted)
• Flash Point: 284.8°C
• PSA: 71.85000
• Density: 1.473g/cm³
• LogP: 6.29260
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 360.0068476
• Heavy Atom Count: 24
• Complexity: 509

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(N=C2C=C1Cl)C=CC=CC3=CC=C(O3)[N+](=O)[O-])Cl
• Isomeric SMILES: C1=CC2=C(C=C(N=C2C=C1Cl)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])Cl

Technology Process of 4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)quinoline

There total 3 articles about 4,7-Dichloro-2-(5-nitro-2-furyl-1,3-butadienyl)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: 82.4%

5-nitrofurylacrolein (52661-56-0,1874-22-2) + 4,7-dichloro-2-methylquinoline (50593-69-6) → 4,7-Dichloro-2-<4'-(5-nitro-2-furyl)-1',3'-butadienyl>quinoline (31432-69-6)

Guidance literature:

With zinc(II) chloride; at 135 - 155 ℃;

DOI:10.1007/BF00767842

Reference yield: 82.0%

7-Chloro-2-[(1E,3E)-4-(5-nitro-furan-2-yl)-buta-1,3-dienyl]-quinolin-4-ol (127556-75-6) → 4,7-Dichloro-2-[(1E,3E)-4-(5-nitro-furan-2-yl)-buta-1,3-dienyl]-quinoline (31432-69-6)

Guidance literature:

With thionyl chloride; at 65 - 70 ℃; for 0.5h;

DOI:10.1007/BF00764815

Reference yield:

→ 4,7-dichloro-2-[4-(5-nitro-furan-2-yl)-buta-1,3-dienyl]-quinoline (31432-69-6)

Guidance literature:

4,6-Dichlorchinaldin, ss-/5-Nitrofuryl-2/-acrolein, Acetanhydrid;

upstream raw materials:

7-Chloro-2-[(1E,3E)-4-(5-nitro-furan-2-yl)-buta-1,3-dienyl]-quinolin-4-ol

5-nitrofurylacrolein

4,7-dichloro-2-methylquinoline

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