Sarafloxacin hydrochloride

Base Information

• Chemical Name: Sarafloxacin hydrochloride
• CAS No.: 91296-87-6
• Molecular Formula: C20H17F2N3O3^.HCl
• Molecular Weight: 421.831
• Hs Code.: 29339900
• NSC Number: 758956
• UNII: I36JP4Q9DF
• DSSTox Substance ID: DTXSID8045939
• Wikidata: Q27280302
• NCI Thesaurus Code: C72844
• ChEMBL ID: CHEMBL542157
• Mol file: 91296-87-6.mol

Synonyms:1-(4-fluorophenyl)-6-fluoro-7-(1-piperazinyl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid;1-FPFPOC;6-fluoro-1-(4-fluorophenyl)-7-piperazinyl-1,4-dihydro-4-quinolone-3-carboxylic acid;A 56620;A-56620;sarafloxacin;sarafloxacin hydrochloride

Chemical Property of Sarafloxacin hydrochloride

Chemical Property:

• Appearance/Colour: pale yellow solid
• Vapor Pressure: 2.67E-16mmHg at 25°C
• Melting Point: >240 °C (dec.)
• Boiling Point: 621.4 °C at 760 mmHg
• Flash Point: 329.6 °C
• PSA: 74.57000
• LogP: 3.57250
• Storage Temp.: 0-6°C
• Solubility.: DMSO (Slightly), Methanol (Very Slightly, Heated)
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 421.1004755
• Heavy Atom Count: 29
• Complexity: 645

Purity/Quality:

99% ^*data from raw suppliers

Sarafloxacin Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
• Uses: Sarafloxacin is a fluorinated quinolone antibacterial. progestin, antiandrogen A fluoroquinolone antibacterial agent

Technology Process of Sarafloxacin hydrochloride

There total 2 articles about Sarafloxacin hydrochloride 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: 95.4%

C24H22BF2N3O7 → Sarafloxacin (91296-87-6)

Guidance literature:

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

Reference yield:

C20H13BF3NO7 → Sarafloxacin (91296-87-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl trimethylsilyl ether / acetonitrile / 20 °C

2: hydrogenchloride / water / 4 h / 0 °C / pH < 1

With hydrogenchloride; ethyl trimethylsilyl ether; In water; acetonitrile;

Reference yield: 53.0%

manganese (II) acetate tetrahydrate (6156-78-1) + Sarafloxacin (91296-87-6) → [Mn(sarafloxacinato)2]*2.5H2O

Guidance literature:

With NH₄OH; 4,4'-biphenyldicarboxylic acid; In water; High Pressure; sarafloxacin hydrochloride, Mn(CH3COO)2, acid and water adjusted to pH 10.5 (NH4OH), sealed in Teflon-lined autoclave, heated in oven at 150 °C for 72 h; slowly cooled to room temp., crystals filtered, washed (H2O), dried; elem. anal.;

DOI:10.1016/j.ica.2012.01.056

Downstream raw materials:

sarafloxacin

Refernces