Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Base Information

Chemical Name:Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CAS No.:100491-63-2
Molecular Formula:C22H21F3N4O3
Molecular Weight:446.429
Hs Code.:
DSSTox Substance ID:DTXSID20545923

Synonyms:100491-63-2;ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate;DTXSID20545923

Suppliers and Price of Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 3 raw suppliers

Chemical Property of Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:446.15657503
Heavy Atom Count:32
Complexity:754

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCNC(C3)C)C4=C(C=C(C=C4)F)F

Technology Process of Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

There total 6 articles about Ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate 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: 85.7%

: 109-07-9
(RS)-2-methylpiperazine

: 100491-29-0
ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate

: 100491-63-2
1-(2,4-Difluoro-phenyl)-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester

Guidance literature:: With pyridine; for 3h; Ambient temperature;

Reference yield:

: 82671-06-5
2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid

: 100491-63-2
1-(2,4-Difluoro-phenyl)-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: thionyl chloride / 2 h / 80 °C

2: 1.) n-BuLi, biquinoline / 1.) THF, hexane, from -30 deg C to -5 deg C, 2.) THF, hexane, RT, 1 h

3: 1.) Ac₂O / 1.) 130 deg C, 1 h, 2.) CH₂Cl₂, RT, 0.5 h

4: 86.5 percent / NaH / tetrahydrofuran / 1 h / Heating

5: 85.7 percent / pyridine / 3 h / Ambient temperature

With pyridine; n-butyllithium; thionyl chloride; biquinoline; acetic anhydride; sodium hydride; In tetrahydrofuran;

Reference yield:

: 96568-04-6
ethyl 3-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxopropanoate

: 100491-63-2
1-(2,4-Difluoro-phenyl)-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) Ac₂O / 1.) 130 deg C, 1 h, 2.) CH₂Cl₂, RT, 0.5 h

2: 86.5 percent / NaH / tetrahydrofuran / 1 h / Heating

3: 85.7 percent / pyridine / 3 h / Ambient temperature

With pyridine; acetic anhydride; sodium hydride; In tetrahydrofuran;