CAS No.112984-60-8,6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid Suppliers

Products Categories

Pharmaceutical (73)
Organic Chemicals (20)
Others (18)
Reagent (2)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	112984-60-8
Name:	6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
Article Data:	8

Formula:	C₁₆H₁₆FN₃O₃S
Molecular Weight:	349.386
Synonyms:	AF 3013;NAD 394;NM 394;6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid;
EINECS:	601-220-5
Density:	1.58 g/cm³
Melting Point:	215-218 °C (decomp)
Boiling Point:	577 °C at 760 mmHg
Flash Point:	302.8 °C
PSA:	99.87000
LogP:	2.26640

Synthetic route

: 113028-17-4
ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Stage #1: ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate With water; potassium hydroxide at 80 - 85℃; for 1h; Stage #2: With acetic acid In water at 20℃; for 1h; pH=6.5 - 7;	97%
With water; potassium hydroxide at 60 - 70℃; Large scale;	97.3%
With potassium hydroxide at 20℃; for 5h;	90%
With potassium hydroxide In water; tert-butyl alcohol at 50 - 60℃; for 1h;	88%
Stage #1: ethyl 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylate With water; potassium hydroxide; tert-butyl alcohol at 20 - 60℃; Stage #2: With water; acetic acid In tert-butyl alcohol

: 113046-72-3
ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
With potassium hydroxide at 20℃; for 5h;	90%
Multi-step reaction with 2 steps 1: 84 percent / dimethylformamide / Ambient temperature 2: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme
Multi-step reaction with 2 steps 1: dimethyl sulfoxide / 4 h / 60 °C 2: potassium hydroxide / 5 h / 20 °C View Scheme

: 113028-75-4
3,4-difluorophenyl isothiocyanate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 2: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C 3: 0.350 g / PPE / 1.5 h / 80 °C 4: 84 percent / dimethylformamide / Ambient temperature 5: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme
Multi-step reaction with 7 steps 1: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 2: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h 3: 58 percent / diphenyl ether / 5 h / 240 °C 4: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 5: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 6: 84 percent / dimethylformamide / Ambient temperature 7: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

Yield

Multi-step reaction with 5 steps
1: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
2: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C
3: 0.350 g / PPE / 1.5 h / 80 °C
4: 84 percent / dimethylformamide / Ambient temperature
5: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

Multi-step reaction with 7 steps
1: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
2: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h
3: 58 percent / diphenyl ether / 5 h / 240 °C
4: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature
5: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C
6: 84 percent / dimethylformamide / Ambient temperature
7: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

: 84339-06-0
ethyl 7,6-difluoro-4-hydroxy-2-mercaptoquinoline-3-carboxylate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 2: 84 percent / dimethylformamide / Ambient temperature 3: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

: 144514-15-8
3,4-difluorophenyl dithiocarbamic acid triethylammonium

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature 2: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 3: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C 4: 0.350 g / PPE / 1.5 h / 80 °C 5: 84 percent / dimethylformamide / Ambient temperature 6: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme
Multi-step reaction with 8 steps 1: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature 2: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 3: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h 4: 58 percent / diphenyl ether / 5 h / 240 °C 5: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 6: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 7: 84 percent / dimethylformamide / Ambient temperature 8: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature
2: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
3: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C
4: 0.350 g / PPE / 1.5 h / 80 °C
5: 84 percent / dimethylformamide / Ambient temperature
6: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

Multi-step reaction with 8 steps
1: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature
2: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
3: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h
4: 58 percent / diphenyl ether / 5 h / 240 °C
5: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature
6: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C
7: 84 percent / dimethylformamide / Ambient temperature
8: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

: 113028-77-6
ethyl 6,7-difluoro-4-hydroxy-2-<(methoxymethyl)thio>-quinoline-3-carboxylate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 2: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 3: 84 percent / dimethylformamide / Ambient temperature 4: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

: 144514-35-2
3-(3,4-difluorophenyl)-4-methyl<1,3>thiazetidin-2-ylidenemalonate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 0.350 g / PPE / 1.5 h / 80 °C 2: 84 percent / dimethylformamide / Ambient temperature 3: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

: 113028-76-5
diethyl<<(3,4-difluorophenyl)amino><(methoxymethyl)-thio>methylene>malonate

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 58 percent / diphenyl ether / 5 h / 240 °C 2: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 3: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 4: 84 percent / dimethylformamide / Ambient temperature 5: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

: [[(3,4-difluorophenyl)amino]-mercaptomethylene]-malonic acid diethyl ester potassium salt

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C 2: 0.350 g / PPE / 1.5 h / 80 °C 3: 84 percent / dimethylformamide / Ambient temperature 4: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme
Multi-step reaction with 6 steps 1: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h 2: 58 percent / diphenyl ether / 5 h / 240 °C 3: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 4: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 5: 84 percent / dimethylformamide / Ambient temperature 6: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

Yield

Multi-step reaction with 4 steps
1: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C
2: 0.350 g / PPE / 1.5 h / 80 °C
3: 84 percent / dimethylformamide / Ambient temperature
4: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

Multi-step reaction with 6 steps
1: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h
2: 58 percent / diphenyl ether / 5 h / 240 °C
3: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature
4: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C
5: 84 percent / dimethylformamide / Ambient temperature
6: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

: 3863-11-4
3,4-difluoroaniline

: 112984-60-8
ulifloxacin

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 0 °C 2: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature 3: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 4: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C 5: 0.350 g / PPE / 1.5 h / 80 °C 6: 84 percent / dimethylformamide / Ambient temperature 7: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme
Multi-step reaction with 9 steps 1: 0 °C 2: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature 3: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h 4: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h 5: 58 percent / diphenyl ether / 5 h / 240 °C 6: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature 7: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C 8: 84 percent / dimethylformamide / Ambient temperature 9: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: 0 °C
2: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature
3: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
4: 2.22 g / K2CO3 / dimethylformamide / 1 h / 70 °C
5: 0.350 g / PPE / 1.5 h / 80 °C
6: 84 percent / dimethylformamide / Ambient temperature
7: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

Multi-step reaction with 9 steps
1: 0 °C
2: ethyl chloroformate, triethylamine / CHCl3 / 3.5 h / Ambient temperature
3: 1.) KOH / 1.) dioxane, RT, 30 min., 2.) 4 deg C, 15 h
4: dimethylformamide / 1.) 0 deg C, 1.5 h, 2.) RT, 2 h
5: 58 percent / diphenyl ether / 5 h / 240 °C
6: 99 percent / 35percent HCl / ethanol / 2 h / Ambient temperature
7: 47 percent / K2CO3, KI / dimethylformamide / 0.5 h / 105 - 110 °C
8: 84 percent / dimethylformamide / Ambient temperature
9: 88 percent / KOH / 2-methyl-propan-2-ol; H2O / 1 h / 50 - 60 °C
View Scheme

Total:98 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 112984-60-8

Specification

The IUPAC name of Ulifloxacin is 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid. With the CAS registry number 112984-60-8, it is also named as (1RS)-6-Fluoro-1-methyl-4-oxo-7-(piperazin-1-yl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid. The product's categories are API Intermediates; Prulifloxacin; Intermediate of Prulifloxacin. In addition, its molecular formula is C₁₆H₁₆FN₃O₃S and molecular weight is 349.38.

The other characteristics of Ulifloxacin can be summarized as: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.39 Å²; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 87.65 cm³; (15)Molar Volume: 220.8 cm³; (16)Polarizability: 34.75×10^-24cm³; (17)Surface Tension: 78.9 dyne/cm; (18)Density: 1.58 g/cm³; (19)Flash Point: 302.8 °C; (20)Enthalpy of Vaporization: 90.87 kJ/mol; (21)Boiling Point: 577 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc2cc4c(cc2N1CCNCC1)N3C(/SC3C)=C(\C4=O)C(=O)O
(2)InChI:InChI=1/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)
(3)InChIKey:SUXQDLLXIBLQHW-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)
(5)Std. InChIKey:SUXQDLLXIBLQHW-UHFFFAOYSA-N