CAS No.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 Suppliers

Products Categories

Pharmaceutical (86)
Organic Chemicals (27)
Others (17)
Materials (3)
Reagent (2)
Plant Extract (1)

Basic Information

Molecular Structure:
CAS No.:	106939-34-8
Name:	Ethyl (S)-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylate
Article Data:	12

Formula:	C₁₅H₁₃F₂NO₄
Molecular Weight:	309.269
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;
EINECS:	691-244-2
Density:	1.43 g/cm³
Melting Point:	258-260 °C
Boiling Point:	442.2 °C at 760 mmHg
Flash Point:	221.2 °C
Appearance:	off-white pale yellow solid
PSA:	57.53000
LogP:	2.40980

Synthetic route

: 2749-11-3
(S)-Alaninol

: 141-78-6
ethyl acetate

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

: 109-94-4
formic acid ethyl ester

: 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

Conditions	Yield
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

: 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

: 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

Conditions	Yield
With tri-n-butyl-tin hydride In ethanol at 50 - 60℃; for 1h;	73%

: 106939-42-8
(S)-7,8-difluoro-3,4-dihydro-3-methyl-2H-1,4-benzoxazine

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 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

Conditions	Yield
With ethyl phosphate In diethyl ether	70%
With sodium chloride; sulfuric acid; sodium hydrogencarbonate; potassium carbonate In ice-water; diethyl ether; acetic anhydride

: 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

: 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

Conditions	Yield
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

: 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

: 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

Conditions	Yield
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

: 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

: 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

Conditions	Yield
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

: 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

: 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

Conditions	Yield
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

: 110548-02-2
(+)-ethyl 2-<<<(S)-1-hydroxyprop-2-yl>amino>methylene>-3-oxo-3-(2,3,4,5-tetrafluorophenyl)propionate

: 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

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃;

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

: 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

Conditions	Yield
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

: 924-99-2, 1117-37-9, 114894-59-6
ethyl 3-(dimethylamino)acrylate

: 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

Conditions	Yield
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

Total:110 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 106939-34-8

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