1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Base Information

Chemical Name:1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CAS No.:90679-45-1
Molecular Formula:C₁₆H₁₂FN₃O₃
Molecular Weight:313.288
Hs Code.:
DSSTox Substance ID:DTXSID60920235
Wikidata:Q82892906
ChEMBL ID:CHEMBL43747

Synonyms:90679-45-1;1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid;1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-pyridyl)-1,8-naphthyridine-3-carboxylic acid;1-ethyl-6-fluoro-4-oxo-7-pyridin-4-yl-1,8-naphthyridine-3-carboxylic acid;1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-pyridinyl)-1,8-naphthyridine-3-carboxylic acid;1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-pyridinyl)-;CHEMBL43747;SCHEMBL10977478;DTXSID60920235;LS-95949;A916529;1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylicacid

Suppliers and Price of 1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 7 raw suppliers

Chemical Property of 1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

Chemical Property:

Vapor Pressure:2.51E-11mmHg at 25°C
Boiling Point:512.5°C at 760 mmHg
Flash Point:263.7°C
Density:1.418g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:313.08626942
Heavy Atom Count:23
Complexity:519

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C=C(C(=O)C2=CC(=C(N=C21)C3=CC=NC=C3)F)C(=O)O

Technology Process of 1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

There total 12 articles about 1-Ethyl-6-fluoro-4-oxo-7-(pyridin-4-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 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: 44.0%

: 90679-44-0
ethyl 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-pyridyl)-1,8-naphthyridine-3-carboxylate

: 90679-45-1
1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(pyridin-4-yl)-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: With sodium hydroxide; at 90 - 100 ℃; for 0.333333h;
DOI:10.1021/jm00392a017

Reference yield:

: 99108-96-0
1,6-dihydro-3-nitro-6-oxo-2-(4-pyridyl)pyridine

: 90679-45-1
1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(pyridin-4-yl)-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 10 steps

1: 96 percent / POCl₃ / 17 h / 80 °C

2: 95 percent / 12percent ethanolic ammonia / 4 h / 135 °C

3: 90 percent / AcOH / 4 h / Heating

4: H₂ / Raney Ni / ethanol

5: 1.) 42percent HBF₄, aq. NaNO₂ / 1.) 10 min, 2.) xylene, reflux, 3 h

6: 15percent HCl / methanol / 1.5 h / Heating

7: ethanol / 2 h / Heating

8: 75 percent / various solvent(s) / 250 - 252 °C

9: 1.) 50percent NaH / 1.) DMF, 60 deg C, 30 min, 2.) DMF, 60 deg C, 1.5 h

10: 44 percent / 2 N aq. NaOH / 0.33 h / 90 - 100 °C

With hydrogenchloride; sodium hydroxide; tetrafluoroboric acid; ammonia; hydrogen; sodium hydride; acetic acid; sodium nitrite; trichlorophosphate; nickel; In methanol; ethanol;
DOI:10.1021/jm00392a017

Reference yield:

: 99108-97-1
6-amino-3-nitro-2-(4-pyridyl)pyridine

: 90679-45-1
1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(pyridin-4-yl)-1,8-naphthyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 90 percent / AcOH / 4 h / Heating

2: H₂ / Raney Ni / ethanol

3: 1.) 42percent HBF₄, aq. NaNO₂ / 1.) 10 min, 2.) xylene, reflux, 3 h

4: 15percent HCl / methanol / 1.5 h / Heating

5: ethanol / 2 h / Heating

6: 75 percent / various solvent(s) / 250 - 252 °C

7: 1.) 50percent NaH / 1.) DMF, 60 deg C, 30 min, 2.) DMF, 60 deg C, 1.5 h

8: 44 percent / 2 N aq. NaOH / 0.33 h / 90 - 100 °C

With hydrogenchloride; sodium hydroxide; tetrafluoroboric acid; hydrogen; sodium hydride; acetic acid; sodium nitrite; nickel; In methanol; ethanol;
DOI:10.1021/jm00392a017