CID 665022

Base Information

• Chemical Name: CID 665022
• CAS No.: 106017-08-7
• Molecular Formula: C₁₇H₁₈FN₃O₃S*ClH
• Molecular Weight: 399.874
• Hs Code.: 2942000000
• Mol file: 106017-08-7.mol

Synonyms:

Chemical Property of CID 665022

Chemical Property:

• Melting Point: 322-324 °C
• Boiling Point: 574.6 °C at 760 mmHg
• Flash Point: 301.3 °C
• PSA: 91.08000
• LogP: 2.50120
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly, Heated), Water (Very Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 399.0819685
• Heavy Atom Count: 26
• Complexity: 608

Purity/Quality:

99% ^*data from raw suppliers

Rufloxacin Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].CN1CCN(CC1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F.[Cl-]
• Description: Rufloxacin hydrochloride is another fluoroquinolone orally active antibacterial structurally and mechanistically related to temafloxacin and tosufloxacin. It is useful for the treatment of respiratory and urinary tract infections and also chronic bacterial prostatitis. Good tissue penetration with long acting activity has been reported.
• Uses: Rufloxacin Hydrochloride inhibits human organic cation transporter 1 (hoCT1) (SLC22A1) but not hOCT2 (SLC22A2), and hOCT3 (SLC22A3) expressed in human embryonic kidney cell.

Technology Process of CID 665022

There total 8 articles about CID 665022 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: 92.0%

→ Rufloxacin hydrochloride (106017-08-7)

Guidance literature:

Reference yield: 86.0%

ethyl 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido<1,2,3-de><1,4>benzothiazine-6-carboxylate (138944-13-5) → Rufloxacin hydrochloride (106017-08-7)

Guidance literature:

With sodium hydroxide; for 0.25h; Heating;

DOI:10.1080/00397919108021589

Reference yield: 86.0%

→ 2-[2,3,5-trifluoro-4-(4-methyl-1-piperazinyl)-benzoyl]-3-di-methylamino ethyl acrylate + Rufloxacin hydrochloride (106017-08-7)

Guidance literature:

upstream raw materials:

ethyl 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido<1,2,3-de><1,4>benzothiazine-6-carboxylate

ethyl 2,3,5-trifluoro-4-(4-methyl-1-piperazinyl)-benzoyl acetate

ethyl 2-<2,3,5-trifluoro-4-(4-methyl-1-piperazinyl)-benzoyl>-3-dimethylaminoacrylate

ethyl 2-<2,3,5-trifluoro-4-(4-methyl-1-piperazinyl)-benzoyl>-3-(1-mercaptoeth-2-ylamino)-acrylate

Refernces

• 1、 -. "Process for the preparation of rufloxacin and salts thereof". . . Retrieved 2008/06/13.
• 2、 -. "Process for the preparation of 9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride". . . Retrieved 2008/06/13.