Decarboxy Ciprofloxacin

Base Information

• Chemical Name: Decarboxy Ciprofloxacin
• CAS No.: 105394-83-0
• Molecular Formula: C₁₆H₁₈FN₃O
• Molecular Weight: 287.337
• Hs Code.: 2933990090
• UNII: FGL76AE74S
• DSSTox Substance ID: DTXSID20431655
• Nikkaji Number: J2.744.380J
• Wikidata: Q82245595
• ChEMBL ID: CHEMBL388179
• Mol file: 105394-83-0.mol

Synonyms:Decarboxy Ciprofloxacin;105394-83-0;Ciprofloxacin Impurity E;Decarboxyciprofloxacin;1-cyclopropyl-6-fluoro-7-piperazin-1-ylquinolin-4-one;FGL76AE74S;1-cyclopropyl-6-fluoro-7-(1-piperazinyl)-4(1H)-quinolinone;1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one;4(1H)-Quinolinone, 1-cyclopropyl-6-fluoro-7-(1-piperazinyl)-;Ciprofloxacin Hydrochloride Imp. E (EP);Ciprofloxacin Imp. E (EP);1-Cyclopropyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one;Decarboxylated Ciprofloxacin;Ciprofloxacin Hydrochloride Impurity E;UNII-FGL76AE74S;Ciprofloxacin impurity E [EP];CHEMBL388179;SCHEMBL1915366;DTXSID20431655;AKOS030240469;SQ-4002;FT-0665541;CIPROFLOXACIN IMPURITY E [EP IMPURITY];J-001412;1-Cyclopropyl-6-fluoro-7-piperazinoquinoline-4(1H)-one;1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)-1,4-dihydroquinolin-4-one;Ciprofloxacin Hydrochloride Monohydrate Imp. E (EP): 1-Cyclopropyl-6-fluoro-7-(piperazin-1-yl)-quinolin-4(1H)-one (Decorboxylated Compound)

Chemical Property of Decarboxy Ciprofloxacin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 196-198°C
• Refractive Index: 1.631
• Boiling Point: 496.641°C at 760 mmHg
• PKA: 8.68±0.10(Predicted)
• Flash Point: 254.159°C
• PSA: 37.27000
• Density: 1.327g/cm³
• LogP: 2.27890
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 287.14339037
• Heavy Atom Count: 21
• Complexity: 445

Purity/Quality:

99%, ^*data from raw suppliers

Decarboxy Ciprofloxacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1N2C=CC(=O)C3=CC(=C(C=C32)N4CCNCC4)F
• Uses: Ciprofloxacin impurity. Ciprofloxacin impurity. Ciprofloxacin Impurity E

Technology Process of Decarboxy Ciprofloxacin

There total 4 articles about Decarboxy Ciprofloxacin 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: 94.5%

ciprofloxacin (85721-33-1,178489-05-9,189257-90-7) → 1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one (105394-83-0)

Guidance literature:

With formaldehyd; In butan-1-ol; for 3h; Heating / reflux;

Reference yield: 30.0%

ciprofloxacin hydrochloride (93107-08-5,86483-48-9) → 1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one (105394-83-0)

Guidance literature:

With sodium cyanide; In dimethyl sulfoxide; at 100 ℃; for 17h;

DOI:10.1016/j.bmcl.2011.05.112

Reference yield:

7-(4-formylpiperazin-1-yl)-1-cyclopropyl-6-fluoroquinolin-4-one (1337918-18-9) → 1-cyclopropyl-6-fluoro-7-(piperazin-1-yl)quinolin-4(1H)-one (105394-83-0)

Guidance literature:

With potassium carbonate; In methanol; at 70 ℃; for 24h;

DOI:10.1016/j.bmcl.2011.07.060

upstream raw materials:

ciprofloxacin

ciprofloxacin hydrochloride

7-(4-formylpiperazin-1-yl)-1-cyclopropyl-6-fluoroquinolin-4-one