1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-

Base Information

Chemical Name:1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-
CAS No.:84424-25-9
Molecular Formula:C₁₆H₁₈F₂N₄O₃
Molecular Weight:352.341
Hs Code.:
DSSTox Substance ID:DTXSID101004690
ChEMBL ID:CHEMBL289995

Synonyms:BRN 5630063;1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-;84424-25-9;CHEMBL289995;SCHEMBL11198791;NCZWVCWMZQQRTL-UHFFFAOYSA-N;DTXSID101004690;LS-95950;6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(3-methylamino-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;6-Fluoro-1-(2-fluoroethyl)-7-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

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Chemical Property of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-

Chemical Property:

Vapor Pressure:4.56E-14mmHg at 25°C
Boiling Point:575.1°Cat760mmHg
Flash Point:301.6°C
Density:1.46g/cm³
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:352.13469677
Heavy Atom Count:25
Complexity:574

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)CCF)C(=O)O)F

Technology Process of 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-

There total 5 articles about 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo- 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: 65.0%

: 84445-12-5
ethyl 7-[3-(N-acetyl-N-methylamino)-1-pyrrolidinyl]-6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate

: 84424-25-9
6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(3-methylamino-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: With hydrogenchloride; Heating;
DOI:10.1021/jm00378a004

Reference yield:

: 84424-21-5
ethyl 7-(ethylthio)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate

: 84424-25-9
6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(3-methylamino-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) K₂CO₃ / 1.) DMF, 65 deg C, 1 h, 2.) DMF, 100 to 105 deg C, 1.5 h

2: 74 percent / m-chloroperbenzoic acid / CHCl₃ / 2 h / Ambient temperature

3: 80 percent / Et₃N / ethanol / Heating

4: 65 percent / aq. HCl / Heating

With hydrogenchloride; potassium carbonate; triethylamine; 3-chloro-benzenecarboperoxoic acid; In ethanol; chloroform;
DOI:10.1021/jm00378a004

Reference yield:

: 84424-22-6
ethyl 7-(ethylthio)-6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate

: 84424-25-9
6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(3-methylamino-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 74 percent / m-chloroperbenzoic acid / CHCl₃ / 2 h / Ambient temperature

2: 80 percent / Et₃N / ethanol / Heating

3: 65 percent / aq. HCl / Heating

With hydrogenchloride; triethylamine; 3-chloro-benzenecarboperoxoic acid; In ethanol; chloroform;
DOI:10.1021/jm00378a004