Product Name

  • Name

    Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate

  • EINECS 691-244-2
  • CAS No. 106939-34-8
  • Article Data12
  • CAS DataBase
  • Density 1.43 g/cm3
  • Solubility
  • Melting Point 258-260 °C
  • Formula C15H13F2NO4
  • Boiling Point 442.2 °C at 760 mmHg
  • Molecular Weight 309.269
  • Flash Point 221.2 °C
  • Transport Information
  • Appearance off-white pale yellow solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 106939-34-8 (Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate)
  • Hazard Symbols
  • Synonyms Levofloxacin Ethyl Ester/Levofloxacin Acid Ester;Levofloxacin cyclized ester;Ethyl (s)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro - 7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate;7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid;Levofloxacin carboxylic acid, ethyl ester;LEVOFLOXACIN ACID ESTER;Levofloxacin Acid Este;
  • PSA 57.53000
  • LogP 2.40980

Synthetic route

(S)-Alaninol
2749-11-3

(S)-Alaninol

ethyl acetate
141-78-6

ethyl acetate

2,3,4,5-tetrafluorobenzoyl chloride
94695-48-4

2,3,4,5-tetrafluorobenzoyl chloride

formic acid ethyl ester
109-94-4

formic acid ethyl ester

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Stage #1: ethyl acetate; formic acid ethyl ester With sodium hydride In toluene
Stage #2: (S)-Alaninol; 2,3,4,5-tetrafluorobenzoyl chloride In toluene at 20℃; Reflux;
Stage #3: With potassium fluoride In N,N-dimethyl-formamide Reflux;		99.4%
...Expand
(-)-ethyl 9,10-difluoro-2,3-dihydro-3-iodomethyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate
113472-54-1

(-)-ethyl 9,10-difluoro-2,3-dihydro-3-iodomethyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In ethanol at 50 - 60℃; for 1h;73%
(S)-7,8-difluoro-3,4-dihydro-3-methyl-2H-1,4-benzoxazine
106939-42-8

(S)-7,8-difluoro-3,4-dihydro-3-methyl-2H-1,4-benzoxazine

diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
With ethyl phosphate In diethyl ether70%
With sodium chloride; sulfuric acid; sodium hydrogencarbonate; potassium carbonate In ice-water; diethyl ether; acetic anhydride
(+/-)-9,10-difluoro-3-hydroxymethyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid ethyl ester
91040-39-0

(+/-)-9,10-difluoro-3-hydroxymethyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid ethyl ester

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 75 percent / pyridine / tetrahydrofuran / 1.5 h / Heating
3: 91 percent / satd. NaHCO3 / ethanol / 2 h / 50 - 60 °C
4: 93 percent / triphenylphosphite methiodide / dimethylformamide / 1.5 h / Ambient temperature
5: 73 percent / tri-n-butyltin hydride / ethanol / 1 h / 50 - 60 °C
View Scheme
(-)-ethyl 9,10-difluoro-2,3-dihydro-3-hydroxymethyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate
100986-87-6

(-)-ethyl 9,10-difluoro-2,3-dihydro-3-hydroxymethyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 93 percent / triphenylphosphite methiodide / dimethylformamide / 1.5 h / Ambient temperature
2: 73 percent / tri-n-butyltin hydride / ethanol / 1 h / 50 - 60 °C
View Scheme
(+/-)-ethyl 9,10-difluoro-2,3-dihydro-3-(3,5-dinitrobenzoyloxy)methyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate
100986-91-2

(+/-)-ethyl 9,10-difluoro-2,3-dihydro-3-(3,5-dinitrobenzoyloxy)methyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
2: 91 percent / satd. NaHCO3 / ethanol / 2 h / 50 - 60 °C
3: 93 percent / triphenylphosphite methiodide / dimethylformamide / 1.5 h / Ambient temperature
4: 73 percent / tri-n-butyltin hydride / ethanol / 1 h / 50 - 60 °C
View Scheme
(S)-3-(3,5-Dinitro-benzoyloxymethyl)-8,9-difluoro-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid ethyl ester
106939-31-5

(S)-3-(3,5-Dinitro-benzoyloxymethyl)-8,9-difluoro-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid ethyl ester

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 91 percent / satd. NaHCO3 / ethanol / 2 h / 50 - 60 °C
2: 93 percent / triphenylphosphite methiodide / dimethylformamide / 1.5 h / Ambient temperature
3: 73 percent / tri-n-butyltin hydride / ethanol / 1 h / 50 - 60 °C
View Scheme
(+)-ethyl 2-<<<(S)-1-hydroxyprop-2-yl>amino>methylene>-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate
110548-02-2

(+)-ethyl 2-<<<(S)-1-hydroxyprop-2-yl>amino>methylene>-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 120℃;
(+)-ethyl 3-[(1-hydroxyprop-2(S)-yl)amino]acrylate

(+)-ethyl 3-[(1-hydroxyprop-2(S)-yl)amino]acrylate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: ammonia / toluene / 4 h / 50 °C
2: toluene / 50 - 100 °C / pH < 7
3: hydrogenchloride / toluene; water / pH < 7
4: potassium fluoride / N,N-dimethyl-formamide / Reflux
View Scheme
ethyl 3-(dimethylamino)acrylate
924-99-2, 1117-37-9, 114894-59-6

ethyl 3-(dimethylamino)acrylate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: toluene / 8 h / 20 °C
2: ammonia / toluene / 4 h / 50 °C
3: toluene / 50 - 100 °C / pH < 7
4: hydrogenchloride / toluene; water / pH < 7
5: potassium fluoride / N,N-dimethyl-formamide / Reflux
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / toluene / 3 h / 40 °C / Green chemistry
2: 1 h / 40 - 90 °C / Green chemistry
3: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 °C / Green chemistry
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / toluene / 6 h / 60 °C
2: toluene / 2 h / 60 - 90 °C
3: potassium carbonate / N,N-dimethyl-formamide / 8 h / 150 °C
View Scheme
C14H31NO3Si2

C14H31NO3Si2

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: toluene / 50 - 100 °C / pH < 7
2: hydrogenchloride / toluene; water / pH < 7
3: potassium fluoride / N,N-dimethyl-formamide / Reflux
View Scheme
3-(2-hydroxy-1-methylethylamino)-2-(2,3,4,5-tetrafluorobenzoyl)acrylic acid ethyl ester

3-(2-hydroxy-1-methylethylamino)-2-(2,3,4,5-tetrafluorobenzoyl)acrylic acid ethyl ester

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
With potassium fluoride In N,N-dimethyl-formamide Reflux;
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 4h; Temperature; Green chemistry;
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 8h; Temperature;
2,3,4,5-tetrafluorobenzoyl chloride
94695-48-4

2,3,4,5-tetrafluorobenzoyl chloride

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / toluene / 3 h / 40 °C / Green chemistry
2: 1 h / 40 - 90 °C / Green chemistry
3: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 °C / Green chemistry
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / toluene / 6 h / 60 °C
2: toluene / 2 h / 60 - 90 °C
3: potassium carbonate / N,N-dimethyl-formamide / 8 h / 150 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / toluene / 6.42 h / 12 - 75 °C
2: 3 h / 20 - 45 °C
3: potassium fluoride / N,N-dimethyl-formamide / 4 h / 160 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / toluene / 3 h / 55 °C
2: 1 h / 40 - 90 °C
3: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine; Phenyl acetate / toluene / 8 h / 5 - 55 °C
2: toluene / 5 °C
3: potassium carbonate; Phenyl acetate; potassium fluoride / N,N-dimethyl-formamide / 2 h / 140 °C
View Scheme
ethyl α<(N,N-dimethylamino)methylene>-2,3,4,5-tetrafluoro-β-oxobenzenepropanoate
138998-47-7

ethyl α<(N,N-dimethylamino)methylene>-2,3,4,5-tetrafluoro-β-oxobenzenepropanoate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1 h / 40 - 90 °C / Green chemistry
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 °C / Green chemistry
View Scheme
Multi-step reaction with 2 steps
1: toluene / 2 h / 60 - 90 °C
2: potassium carbonate / N,N-dimethyl-formamide / 8 h / 150 °C
View Scheme
Multi-step reaction with 2 steps
1: 1 h / 40 - 90 °C
2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 100 °C
View Scheme
Multi-step reaction with 2 steps
1: toluene / 5 °C
2: potassium carbonate; Phenyl acetate; potassium fluoride / N,N-dimethyl-formamide / 2 h / 140 °C
View Scheme
ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate
94695-50-8

ethyl 3-(2,3,4,5-tetrafkuorophenyl)-3-oxopropanoate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 0.5 h / 140 °C
1.2: 40 h / 140 °C
1.3: 96 h / 20 °C
2.1: potassium carbonate / N,N-dimethyl acetamide / 0.42 h / 160 °C / Microwave irradiation
View Scheme
(-)-ethyl 2-<<<(R)-1-hydroxyprop-2-yl>amino>methylene>-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate
110548-04-4

(-)-ethyl 2-<<<(R)-1-hydroxyprop-2-yl>amino>methylene>-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl acetamide at 160℃; for 0.416667h; Microwave irradiation;
boric acid
11113-50-1

boric acid

acetic anhydride
108-24-7

acetic anhydride

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

bis(acetato-O)[(3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylato-O6,O7]boron

bis(acetato-O)[(3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylato-O6,O7]boron

Conditions
ConditionsYield
Stage #1: boric acid; acetic anhydride With zinc(II) chloride at 20℃; for 0.5h; Large scale;
Stage #2: ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate at 60℃; for 2h; Large scale;		94%
Stage #1: boric acid; acetic anhydride With zinc(II) chloride at 20℃; for 0.5h;
Stage #2: ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate at 60℃; for 2h;		88%
Stage #1: boric acid; acetic anhydride With zinc(II) chloride at 20℃; for 0.5h;
Stage #2: ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate at 60℃; for 6h;		83%
...Expand
acetic anhydride
108-24-7

acetic anhydride

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

bis(acetato-O)[(3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylato-O6,O7]boron

bis(acetato-O)[(3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylato-O6,O7]boron

Conditions
ConditionsYield
With boric acid; zinc(II) chloride93%
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(-)-(S)-3-methyl-9,10-difluoro-2,3-dihydro-8-nitro-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

(-)-(S)-3-methyl-9,10-difluoro-2,3-dihydro-8-nitro-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

Conditions
ConditionsYield
With sulfuric acid; potassium nitrate at 0 - 25℃; for 2h; Reagent/catalyst;93%
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

levofloxacin Q-acid
100986-89-8

levofloxacin Q-acid

Conditions
ConditionsYield
With hydrogenchloride; acetic acid91%
In hydrogenchloride; acetic acid for 0.666667h; Heating;61%
With hydrogenchloride; acetic acid
nitromethane
75-52-5

nitromethane

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-10-nitromethyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

(S)-9-fluoro-3-methyl-10-nitromethyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

Conditions
ConditionsYield
With sodium hydride In dimethyl sulfoxide at 50℃; for 4h;89%
Stage #1: nitromethane With sodium hydride In dimethyl sulfoxide
Stage #2: ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate In dimethyl sulfoxide at 65℃; for 4h; Further stages.;		89%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

levofloxacin
100986-85-4

levofloxacin

Conditions
ConditionsYield
With acetic acid In water; N,N-dimethyl-formamide at 70 - 105℃; for 10h; Temperature; Solvent; Reagent/catalyst;85.7%
sodium cyanide
773837-37-9

sodium cyanide

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-10-cyano-3-methyl-2,3-dihydro-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

(S)-9-fluoro-10-cyano-3-methyl-2,3-dihydro-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 80℃; for 10h; Solvent; Temperature;60.8%
In N,N-dimethyl-formamide at 0 - 80℃; for 10.5h; Temperature;60.8%
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-10-formyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester
853336-60-4

(S)-9-fluoro-3-methyl-10-formyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 89 percent / NaH / dimethylsulfoxide / 4 h / 50 °C
2.1: KOH / methanol / 0.5 h / -10 - 5 °C
2.2: 66 percent / KMnO4; MgSO4 / H2O
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(R)-9-(4-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl}-piperazin-1-yl)-8-fluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid

(R)-9-(4-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl}-piperazin-1-yl)-8-fluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. HCl; AcOH
2: N-methylmorpoline / dimethylsulfoxide / 110 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-7-oxo-10-((1r,4s)-4-(phenoxymethyl)cyclohexanecarboxamido)-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-9-fluoro-3-methyl-7-oxo-10-((1r,4s)-4-(phenoxymethyl)cyclohexanecarboxamido)-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-10-((1r,4s)-4-((2,6-dimethylphenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-10-((1r,4s)-4-((2,6-dimethylphenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-10-((1r,4s)-4-((2,3-difluorophenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-10-((1r,4s)-4-((2,3-difluorophenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-10-((1r,4s)-4-((4-nitrophenoxy)methyl)cyclohexanecarboxamido)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-9-fluoro-3-methyl-10-((1r,4s)-4-((4-nitrophenoxy)methyl)cyclohexanecarboxamido)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-7-oxo-10-((1s,4r)-4-(phenoxymethyl)cyclohexanecarboxamido)-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-9-fluoro-3-methyl-7-oxo-10-((1s,4r)-4-(phenoxymethyl)cyclohexanecarboxamido)-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-10-((1s,4r)-4-((2,6-dimethylphenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-10-((1s,4r)-4-((2,6-dimethylphenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-10-((1s,4r)-4-((2,3-difluorophenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-10-((1s,4r)-4-((2,3-difluorophenoxy)methyl)cyclohexanecarboxamido)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

(S)-9-fluoro-3-methyl-10-((1s,4r)-4-((4-nitrophenoxy)methyl)cyclohexanecarboxamido)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

(S)-9-fluoro-3-methyl-10-((1s,4r)-4-((4-nitrophenoxy)methyl)cyclohexanecarboxamido)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
4: sodium hydroxide; water / ethanol / 10 °C
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

ethyl (S)-10-azido-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate

ethyl (S)-10-azido-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate

Conditions
ConditionsYield
With sodium azide In N,N-dimethyl-formamide at 90 - 95℃; for 8h;11.8 g
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

C29H31FN2O6

C29H31FN2O6

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

C31H35FN2O6

C31H35FN2O6

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

C29H29F3N2O6

C29H29F3N2O6

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
View Scheme
ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate
106939-34-8

ethyl (S)-(-)-9,10-Difluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-Pyrido[1,2,3-de]-[1,4]Benzoxazine-6-Carboxylate

C29H30FN3O8

C29H30FN3O8

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium azide / N,N-dimethyl-formamide / 8 h / 90 - 95 °C
2: 5%-palladium/activated carbon; hydrogen / N,N-dimethyl-formamide / 70 °C
3: dmap; pyridine / toluene / 90 °C / Inert atmosphere
View Scheme

Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate Specification

This chemical is called Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate, and its CAS registry number is 106939-34-8. With the molecular formula of C15H13F2NO4, its molecular weight is 309.26. Additionally, its product categories are Various Intermediates; Intermediates & Fine Chemicals; Pharmaceuticals.

Other characteristics of the Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 71.8 cm3; (9)Molar Volume: 215.1 cm3; (10)Polarizability: 28.46×10-24cm3; (11)Surface Tension: 51.2 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 221.2 °C; (14)Enthalpy of Vaporization: 69.96 kJ/mol; (15)Boiling Point: 442.2 °C at 760 mmHg; (16)Vapour Pressure: 5.11E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc3cc1c2N(/C=C(\C1=O)C(=O)OCC)[C@H](COc2c3F)C
2.InChI: InChI=1/C15H13F2NO4/c1-3-21-15(20)9-5-18-7(2)6-22-14-11(17)10(16)4-8(12(14)18)13(9)19/h4-5,7H,3,6H2,1-2H3/t7-/m0/s1
3.InChIKey: TZSXJUSNOOBBOP-ZETCQYMHBL

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