CID 4921596

Base Information

• Chemical Name: CID 4921596
• CAS No.: 105956-97-6
• Molecular Formula: C17H17ClFN3O3
• Molecular Weight: 365.792
• Hs Code.: 2933990090
• Mol file: 105956-97-6.mol

Synonyms:AKOS005496442

Chemical Property of CID 4921596

Chemical Property:

• Appearance/Colour: White to light yellow crystalline powder.
• Vapor Pressure: 7.14E-15mmHg at 25°C
• Melting Point: 253-258 °C
• Refractive Index: 1.684
• Boiling Point: 592.3 °C at 760 mmHg
• PKA: 6.39±0.50(Predicted)
• Flash Point: 312 °C
• PSA: 88.56000
• Density: 1.573 g/cm³
• LogP: 3.12980
• Storage Temp.: 2-8°C
• Solubility.: Acetic Acid (Slightly), DMSO (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 365.0942473
• Heavy Atom Count: 25
• Complexity: 621

Purity/Quality:

99% ^*data from raw suppliers

Clinafloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-63
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)[NH3+])F)C(=O)[O-]
• Uses: Antibacterial. Clinafloxacin is a fluoroquinolone that inhibits both DNA gyrase and topoisomerase IV.

Technology Process of CID 4921596

There total 7 articles about CID 4921596 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:

ethyl 7-(3-acetamido-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate → clinafloxacin (105956-97-6,117404-52-1)

Guidance literature:

With sodium hydroxide; In acetic acid-water;

Reference yield:

ethyl 8-chloro-1-cyclopropyl-7-(3-ethoxycarbonylamino-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate → clinafloxacin (105956-97-6,117404-52-1)

Guidance literature:

With sodium hydroxide; In acetic acid-water;

Reference yield:

1,4-diaza-bicyclo[2.2.2]octane (280-57-9,88935-43-7) + 8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-3-quinolinecarboxylic acid + pyrrolidin-3-amine (79286-79-6) + pivalaldehyde (630-19-3) → clinafloxacin (105956-97-6,117404-52-1)

Guidance literature:

molecular sieve; In N-methyl-acetamide; water; acetonitrile;

upstream raw materials:

7-[(3-t-Butoxycarbonylamino)-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

1,4-diaza-bicyclo[2.2.2]octane

pyrrolidin-3-amine

Refernces

• 1、 -. "Preparation of 7-(3-amino- and 3-amino-methyl-1-pyrrolidinyl)-3-quinolonecarboxylic acids and -naphthyridonecarboxylic acids". . . Retrieved 2008/06/13.
• 2、 Sanchez, Joseph P.,Domagala, John M.,Hagen, Susan E.,Heifetz, Carl L.,Hutt, Marland P.,et al.. "Quinolone Antibacterial Agents. Synthesis and Structure-Activity Relationships of 8-Substituted Quinoline-3-carboxylic Acids and 1,8-Naphthyridine-3-carboxylic Acids". . p. 983 - 991. Retrieved 2007/10/02.