Ulifloxacin

Base Information

• Chemical Name: Ulifloxacin
• CAS No.: 112984-60-8
• Molecular Formula: C16H16FN3O3S
• Molecular Weight: 349.386
• Hs Code.: 2933990090
• European Community (EC) Number: 601-220-5
• UNII: C38638H76Y
• DSSTox Substance ID: DTXSID0057621
• Nikkaji Number: J462.718K
• Wikidata: Q27116386
• NCI Thesaurus Code: C76925
• Metabolomics Workbench ID: 144389
• ChEMBL ID: CHEMBL345937
• Mol file: 112984-60-8.mol

Synonyms:6-fluoro-1-methyl-7-(1-piperazinyl)-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid;NM 394;NM-394;NM394;ulifloxacin

Chemical Property of Ulifloxacin

Chemical Property:

• Vapor Pressure: 3.73E-14mmHg at 25°C
• Melting Point: 215-218 °C (decomp)
• Refractive Index: 1.724
• Boiling Point: 577 °C at 760 mmHg
• PKA: 5.85±0.40(Predicted)
• Flash Point: 302.8 °C
• PSA: 99.87000
• Density: 1.58 g/cm³
• LogP: 2.26640
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 349.08964072
• Heavy Atom Count: 24
• Complexity: 607

Purity/Quality:

99% ^*data from raw suppliers

Ulifloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCNCC4
• Uses: A metabolite of Prulifloxacin (P838885). Ulifloxacin is a new quinolone antibiotic and it is effective against pneumonia. A labelled metabolite of Prulifloxacin (P838885). Ulifloxacin is a new quinolone antibiotic and it is effective against pneumonia.

Technology Process of Ulifloxacin

There total 13 articles about Ulifloxacin 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: 97.3%

ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate (113028-17-4) → ulifloxacin (112984-60-8)

Guidance literature:

ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate; With water; potassium hydroxide; at 80 - 85 ℃; for 1h;

With acetic acid; In water; at 20 ℃; for 1h; pH=6.5 - 7;

Reference yield: 90.0%

ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (113046-72-3) → ulifloxacin (112984-60-8)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 5h;

Reference yield:

6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate-O3,O4(bis(acetato-)O)-borone (1028087-98-0) → ulifloxacin (112984-60-8)

Guidance literature:

6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate-O₃,O₄(bis(acetato-)O)-borone; With potassium hydroxide; water; at 25 - 65 ℃; for 4h;

With hydrogenchloride; In water; at 25 - 30 ℃; for 1h; pH=7 - 7.5; Product distribution / selectivity;

upstream raw materials:

ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate

3,4-difluorophenyl isothiocyanate

ethyl 7,6-difluoro-4-hydroxy-2-mercaptoquinoline-3-carboxylate

3,4-difluorophenyl dithiocarbamic acid triethylammonium

Downstream raw materials:

prulifloxacin

6-fluoro-1-methyl-4-oxo-7-<4-<(2-oxo-1-methylenepropyl)oxycarbonyl>-1-piperazinyl>-4H-<1,3>thiazeto<3,2-a>quinoline-3-carboxylic acid