Norfloxacin-d5

Base Information

• Chemical Name: Norfloxacin-d5
• CAS No.: 1015856-57-1
• Molecular Formula: C16H13D5FN3O3
• Molecular Weight: 324.36
• DSSTox Substance ID: DTXSID801016779
• Mol file: 1015856-57-1.mol

Synonyms:Norfloxacin-d5;1015856-57-1;6-fluoro-4-oxo-1-(1,1,2,2,2-pentadeuterioethyl)-7-piperazin-1-ylquinoline-3-carboxylic acid;3-Quinolinecarboxylic acid, 1-(ethyl-1,1,2,2,2-d5)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-;Norfloxacin D5;1-(Ethyl-1,1,2,2,2-d5)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid;Norfloxacin D5 (ethyl D5);Norfloxacin (ethyl-d5);Norfloxacin D5 100 microg/mL in Acetonitrile;Norfloxacin-d5 hydrochloride;HY-B0132S;OGJPXUAPXNRGGI-ZBJDZAJPSA-N;1ST5738AD5;DTXSID801016779;MS-24830;CS-0129452;F91200;J-000446;Norfloxacin-d5, VETRANAL(TM), analytical standard;6-Fluoro-1,4-dihydro-4-oxo-1- pentadeuteroethyl-7-piperazino-3-quinolinecarboxylic acid;6-Fluoro-1,4-dihydro-4-oxo-1-pentadeuteroethyl-7-piperazino-3-quinolinecarboxylic acid

Chemical Property of Norfloxacin-d5

Chemical Property:

• PSA: 74.57000
• LogP: 1.66210
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated), Methanol (Sli
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 324.16460334
• Heavy Atom Count: 23
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Norfloxacin-d5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
• Uses: Norfloxacin-d5 is deuterium labeled Norfloxacin (N681000), a synthetic fluoroquinolone and an antibacterial agent. Norfloxacin can be used to treat urinary tract infections.

Technology Process of Norfloxacin-d5

There total 4 articles about Norfloxacin-d5 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:

piperazine (110-85-0) + C12H4(2)H5F2NO3 → norfloxacin-D5 (1015856-57-1)

Guidance literature:

With pyridine; at 110 ℃; for 5h;

Reference yield:

3,4-difluoroaniline (3863-11-4) → norfloxacin-D5 (1015856-57-1)

Guidance literature:

Multi-step reaction with 5 steps

1: 3 h / 120 - 130 °C

2: diphenylether / 2 h / 240 - 280 °C

3: potassium carbonate / N,N-dimethyl-formamide / 6 h / 90 °C

4: acetic acid; hydrogenchloride / water / 5 h / 100 °C

5: pyridine / 5 h / 110 °C

With pyridine; hydrogenchloride; potassium carbonate; acetic acid; In diphenylether; water; N,N-dimethyl-formamide;

Reference yield:

diethyl 2-[(3,4-difluorophenylamino)methylene]malonate (142354-87-8) → norfloxacin-D5 (1015856-57-1)

Guidance literature:

Multi-step reaction with 4 steps

1: diphenylether / 2 h / 240 - 280 °C

2: potassium carbonate / N,N-dimethyl-formamide / 6 h / 90 °C

3: acetic acid; hydrogenchloride / water / 5 h / 100 °C

4: pyridine / 5 h / 110 °C

With pyridine; hydrogenchloride; potassium carbonate; acetic acid; In diphenylether; water; N,N-dimethyl-formamide;

upstream raw materials:

piperazine

3,4-difluoroaniline

diethyl 2-[(3,4-difluorophenylamino)methylene]malonate

6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester

Refernces