CAS No.79660-46-1,ETHYL 6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLATE Suppliers,MSDS download

Products Categories

Organic Chemicals (21)
Pharmaceutical (21)
Others (7)
Reagent (3)
Materials (1)

Basic Information

Molecular Structure:
CAS No.:	79660-46-1
Name:	ETHYL 6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLATE
Article Data:	16

Formula:	C₁₂H₈F₃NO₃
Molecular Weight:	271.196
Synonyms:	CycliccompoundofLomefloxacin;
Density:	1.451 g/cm³
Melting Point:	275 °C (dec.)(lit.)
Boiling Point:	344.3 °C at 760 mmHg
Flash Point:	162 °C
Appearance:	beige to beige-brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	59.16000
LogP:	2.12210

Synthetic route

: 100501-60-8
diethyl 2-((2,3,4-trifluorophenylamino)methylene)malonate

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
In diphenylether at 190℃; for 0.416667h; Microwave irradiation;	85.7%
In various solvent(s) at 250℃; for 6h;	83%
In diphenylether at 250℃; for 8h;	77%

: 147694-57-3
Ethyl 1--N-methylamino>-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

A: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

B: 147694-55-1
Ethyl 3,3-bis(tert-butoxycarbonyl)-4,5-difluoro-2,3-dihydro-1-methyl-7-oxo-1H,7H-pyrido<3,2,1-i,j>cinnoline-8-carboxylate

Conditions

Conditions	Yield
With caesium carbonate In dimethyl sulfoxide at 80℃; for 4h;	A 18% B 50%

: 143364-59-4, 143364-65-2
(5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-3-{N-[(Z)-2-ethoxycarbonyl-3-oxo-3-(2,3,4,5-tetrafluoro-phenyl)-propenyl]aminosulfanyl}-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester

A: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

B: 143364-60-7
C34H52N2O8S4Si2

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0℃;

: 3862-73-5
2,3,4-trifluoroaniline

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / 2 h / Heating 2: 83 percent / various solvent(s) / 6 h / 250 °C View Scheme
Multi-step reaction with 2 steps 1: 115 - 120 °C / 30-60 min 2: Dowtherm A / 1 h / 250 °C View Scheme
Multi-step reaction with 2 steps 1: 80 percent / 3 h / 120 - 130 °C 2: 66 percent / diphenyl ether / 1 h / 250 °C View Scheme

: 87-13-8
diethyl 2-ethoxymethylenemalonate

p-NH2-C6H4-COOR: p-NH2-C6H4-COOR

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 86 percent / 2 h / Heating 2: 83 percent / various solvent(s) / 6 h / 250 °C View Scheme

: 87-13-8
diethyl 2-ethoxymethylenemalonate

sodium compound of acetonedicarboxylic acid diethyl ester: sodium compound of acetonedicarboxylic acid diethyl ester

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 115 - 120 °C / 30-60 min 2: Dowtherm A / 1 h / 250 °C View Scheme

: 103995-33-1
3-(2,3,4,5-tetrafluorophenyl)-3-oxo-2-(ethoxymethylene)-propanoic acid ethyl ester

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / CH2Cl2 / 336 h / Ambient temperature 2: NaH / tetrahydrofuran / 0 °C View Scheme

: 87-13-8
diethyl 2-ethoxymethylenemalonate

alkali: alkali

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / 3 h / 120 - 130 °C 2: 66 percent / diphenyl ether / 1 h / 250 °C View Scheme

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2 h / 110 - 120 °C 2: diphenylether / 8 h / 250 °C View Scheme
Multi-step reaction with 2 steps 1: 2.5 h / 120 °C 2: diphenylether / Reflux View Scheme
Multi-step reaction with 2 steps 1: neat (no solvent) / 2 h / 110 - 120 °C 2: diphenylether / 8 h / 250 °C View Scheme
Multi-step reaction with 2 steps 1: toluene / 110 °C 2: diphenylether / 210 °C / Microwave irradiation View Scheme

: 1132814-55-1
ethyl 3-{[1-(2-hydroxyethyl)cyclopentyl]amino}-2-(2,3,4,5-tetrafluorobenzoyl)acrylate

: 79660-46-1
ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 90℃;

Total:48 Page 1 of 2 1 2 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 79660-46-1

Specification

The 3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number of 79660-46-1, is also known as CycliccompoundofLomefloxacin. This chemical's molecular formula is C₁₂H₈F₃NO₃ and molecular weight is 271.19. What's more, its IUPAC name is Ethyl 6,7,8-trifluoro-4-oxo-1H-quinoline-3-carboxylate. This chemical's classification code is Skin / Eye Irritant. Its systematic name is called Ethyl 6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate.

Physical properties about the 3-Quinolinecarboxylicacid, 6,7,8-trifluoro-1,4-dihydro-4-oxo-, ethyl ester are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 199.49; (6)ACD/BCF (pH 7.4): 199.49; (7)ACD/KOC (pH 5.5): 1541.29; (8)ACD/KOC (pH 7.4): 1541.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.522; (14) Molar Refractivity: 57.07 cm³; (15)Molar Volume: 186.8 cm³; (16)Surface Tension: 42.7 dyne/cm; (17)Density: 1.451 g/cm³; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 58.82 kJ/mol; (20)Boiling Point: 344.3 °C at 760 mmHg; (21)Vapour Pressure: 6.67E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-[(2,3,4-Trifluoro-phenylamino)-methylene]-malonic acid diethyl ester. The reaction needs reagent Dowtherm A and solvent Diphenyl ether. The reaction time is 1.0 hour with reaction temperature of 250 ℃. The yield is about 66 %.

Uses: it can prepare 1-Amino-6,7,8-trifluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester. The reaction needs reagents K₂CO₃ and O-(p-toluenesulfonyl)hydroxylamine. Its solvent is Dimethylformamide. The reaction time is 24 hours with reaction temperature of 25 ℃. The yield is about 82 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is rritating to eyes, respiratory system and skin. If it contacts with eyes, rinse immediately with plenty of water and seek medical advice. What's more, wear suitable protective clothing when you are using it.

You can still convert the following datas into molecular structure:
(1) SMILES:Fc2c(F)c(F)c1c(C(=O)\C(=C/N1)C(=O)OCC)c2
(2) InChI:InChI=1/C12H8F3NO3/c1-2-19-12(18)6-4-16-10-5(11(6)17)3-7(13)8(14)9(10)15/h3-4H,2H2,1H3,(H,16,17)
(3) InChIKey:ONQDAESGZUODFI-UHFFFAOYAI

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 83, 1990.