Rosoxacin

Base Information

• Chemical Name: Rosoxacin
• CAS No.: 40034-42-2
• Molecular Formula: C17H14 N2 O3
• Molecular Weight: 294.31
• Hs Code.: 2933990090
• European Community (EC) Number: 254-758-4
• NSC Number: 146617
• UNII: 3Y1OT3J4NW
• DSSTox Substance ID: DTXSID90193091
• Nikkaji Number: J16.414C
• Wikipedia: Rosoxacin
• Wikidata: Q754690
• NCI Thesaurus Code: C76232
• Metabolomics Workbench ID: 43107
• ChEMBL ID: CHEMBL291157
• Mol file: 40034-42-2.mol

Synonyms:acrosoxacin;Eracine;Eradacin;rosoxacin;Win 35,213

Chemical Property of Rosoxacin

Chemical Property:

• Vapor Pressure: 7.54E-11mmHg at 25°C
• Melting Point: 290°
• Boiling Point: 500.8°C at 760 mmHg
• Flash Point: 256.7°C
• PSA: 72.19000
• Density: 1.317g/cm³
• LogP: 2.78160
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 294.10044231
• Heavy Atom Count: 22
• Complexity: 482

Purity/Quality:

99% ^*data from raw suppliers

Rosoxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)O
• Uses: Antibacterial.

Technology Process of Rosoxacin

There total 8 articles about Rosoxacin 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: 89.0%

Ethyl 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylate (40034-46-6) → rosoxacin (40034-42-2)

Guidance literature:

With potassium hydroxide; for 1h; Heating;

DOI:10.1002/jhet.5570210655

Reference yield: 47.0%

→ rosoxacin (40034-42-2)

Guidance literature:

Reference yield:

3-acetyl-1-ethyl-1,4-dihydro-4-oxo-7-(pyridin-4-yl)quinoline → rosoxacin (40034-42-2)

Guidance literature:

upstream raw materials:

Ethyl 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylate

3-(pyridin-4-yl)benzenamine

Diethyl <<<3-(4-Pyridinyl)phenyl>amino>methylene>propanedioate

Ethyl 1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylate

Refernces

• 1、 Carabateas,Brundage,Gelotte,et al.. "1-Ethyl-1,4-dihydro-4-oxo-7-(pyridinyl)-3-quinolinecarboxylic acids. II. Synthesis". . p. 1857 - 1863. Retrieved 2007/10/02.
• 2、 -. "Alkyl α-[3-(pyridyl)-anilinomethylene]acetoacetates". . . Retrieved 2008/06/13.