1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

Base Information

• Chemical Name: 1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
• CAS No.: 93106-60-6
• Molecular Formula: C19H22FN3O3
• Molecular Weight: 359.4
• Hs Code.: 29339900
• Mol file: 93106-60-6.mol

Synonyms:1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

Chemical Property of 1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

Chemical Property:

• Appearance/Colour: Pale yellow crystals
• Melting Point: 225 °C
• Boiling Point: 560.5 °C at 760 mmHg
• PKA: 6.43±0.41(Predicted)
• Flash Point: 292.8 °C
• PSA: 65.78000
• Density: 1.385 g/cm³
• LogP: 2.31850
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Very Slightly, Heated)
• Water Solubility.: Soluble in chloroform. Slightly soluble in water. Also soluble in dilute KOH
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 359.16451973
• Heavy Atom Count: 26
• Complexity: 608

Purity/Quality:

99% ^*data from raw suppliers

Enrofloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F
• Uses: 1. Antimicrobial, for bacteria and mycoplasma infection. 2. New veterinary antimicrobial drugs, broad-spectrum, high efficiency, has special effects on Gram-positive and Gram-negative bacteria and mycoplasma. Enrofloxacin is a broad spectrum antibiotic bactericidal agent used in veterinary medicine to treat animals afflicted with certain bacterial infections.

Technology Process of 1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate

There total 19 articles about 1-Cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate 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: 97.0%

4-ethylpiperazine (5308-25-8) + 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid (86393-33-1,178489-04-8) → enrofloxacin (93106-60-6)

Guidance literature:

With nano iron oxide on ZrO₂ coated sulfonic acid; In water; for 0.316667h; Solvent; Temperature; Reagent/catalyst; Reflux;

DOI:10.2174/1570178615666171226162735

Reference yield: 92.4%

C23H27BFN3O7 → enrofloxacin (93106-60-6)

Guidance literature:

With hydrogenchloride; In water; at 0 ℃; for 4h; pH=< 1;

Reference yield: 91.8%

1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid sodium salt + 4-ethylpiperazine (5308-25-8) → enrofloxacin (93106-60-6)

Guidance literature:

With aluminum (III) chloride; In i-Amyl alcohol; at 140 ℃; for 8h; Temperature;

upstream raw materials:

4-ethylpiperazine

7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid

ethyl 2,4,5-trifluorobenzoylacetate

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

CuCl(enrofloxacin(-1H))(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)

7-(4-ethylpiperazin-1-yl)-1-cyclopropyl-6-fluoroquinolin-4-one

enrofloxacin

C₁₉H₂₁FN₃O₃^(1-)*Cu⁽²⁺⁾*Cl^(1-)*C₁₀H₉N₃