[ CAS No. 205448-65-3 ] {[proInfo.proName]}

Name: 205448-65-3|Methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate|98%
Brand: Ambeed
SKU: A157363
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Quality Control of [ 205448-65-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 205448-65-3 ]

CAS No. :	205448-65-3	MDL No. :	MFCD13192255
Formula :	C₁₂H₁₁NO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TYKSVPGCVLNVIO-UHFFFAOYSA-N
M.W :	233.22	Pubchem ID :	22646623
Synonyms :

Calculated chemistry of [ 205448-65-3 ]

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.17
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	62.34
TPSA :	68.39 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	1.38
Log Po/w (WLOGP) :	1.32
Log Po/w (MLOGP) :	0.42
Log Po/w (SILICOS-IT) :	2.45
Consensus Log Po/w :	1.52

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.39
Solubility :	0.944 mg/ml ; 0.00405 mol/l
Class :	Soluble
Log S (Ali) :	-2.42
Solubility :	0.888 mg/ml ; 0.00381 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.82
Solubility :	0.0354 mg/ml ; 0.000152 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.84

Safety of [ 205448-65-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 205448-65-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 205448-65-3 ]
Downstream synthetic route of [ 205448-65-3 ]

[ 205448-65-3 ] Synthesis Path-Upstream 1~5

1
[ 205448-65-3 ]
[ 417721-36-9 ]

Reference： [1] Patent: EP3293177, 2018, A1,

2
[ 205448-65-3 ]
[ 205448-66-4 ]

Yield	Reaction Conditions	Operation in experiment
76.32%	for 1 h; Reflux; Inert atmosphere	Compound 1B (3.00 g, 12.86 mmol) was added to thionyl chloride (30.00 mL). N,N-Dimethylformamide (93.99mg, 1.29 mmol) was then added to the reaction system. The reaction solution was protected by nitrogen and then heatedup to an outer temperature of 90 °C and reacted under refluxing for 1 hour. The completion of the reaction was detectedby TLC. The aqueous phase was combined and concentrated to dryness. The residue was dissolved in ice water (50ml) and extracted with ethyl acetate (20 ml * 2). The aqueous phase was extracted with dichloromethane (30 ml * 5).The dichloromethane phase was washed with NaCl solution (20 ml * 2) and dried over sodium sulfate, and then pumpdriedby a water pump to give compound 37A (2.60 g, 9.81 mmol, the yield was 76.32percent, and the purity was 95percent) as agray solid.1H NMR (400 MHz, DMSO-d6) ppm 3.87 (s, 3 H) 3.98 (s, 3 H) 7.60 (s, 1 H) 7.66 (d, J=4.77 Hz, 1 H) 8.41 (s, 1 H) 8.83(d, J=4.77 Hz, 1 H)
70%	for 2 h; Heating / reflux	A mixture of 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one (5.4 g, 23 mmol), DMF (0.4 ml) and thionyl chloride (75 ml) was heated at reflux for 2 hours and then stirred at ambient temperature for a further 2 hours.. The excess thionyl chloride was removed by evaporation and by azeotroping with toluene.. The residue was suspended in methylene chloride and washed with saturated aqueous sodium hydrogen carbonate solution.. The organic layer was separated, dried by passing through phase separating paper and the solvent was removed by evaporation.. The residue was suspended in ether, collected by filtration, washed with hexane and dried to give 4-chloro-7-methoxy-6-methoxycarbonylquinoline (4.06 g, 70percent) as an orange solid. 1H NMR Spectrum: (DMSOd6) 3.86 (s, 3H); 3.98 (s, 3H); 7.58 (s, 1H); 7.64 (d, 1H); 8.40 (s, 1H); 8.82 (d, 11H); MS-ESI: 252 [MH]+.

Reference： [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1649 - 1667
[2] Patent: EP3293177, 2018, A1, . Location in patent: Paragraph 0251; 0252
[3] Patent: US6809097, 2004, B1, . Location in patent: Page column 67
[4] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1668 - 1680
[5] Patent: EP1724268, 2006, A1, . Location in patent: Page/Page column 48

3
[ 205448-64-2 ]
[ 205448-65-3 ]

Yield	Reaction Conditions	Operation in experiment
80%	at 40 - 190℃; for 1 h;	5-((3-Methoxy-4-methoxycarbonylanilino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (10 g, 29.8 mmol) was suspended in DOWTHERM A, (trade mark of Fluka Chemie AG), (125 ml) and heated to 180-190° C. over 30 minutes.. The starting material dissolved at 100° C. and carbon dioxide came off at approximately 180° C. The heating was stopped after a further 30 minutes and the product precipitated out as the temperature dropped.. Upon reaching 40° C. ether was added and the mixture was stirred for 30 minutes.. The solid was collected by filtration, washed with ether and dried under vacuum to give 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one (5.56 g, 80percent). 11H NMR Spectrum: (DMSOd6) 3.80 (s, 3H); 3.85 (s, 3H); 5.95 (d, 1H); 7.00 (s, 1H); 7.85 (d, 1H); 8.40 (s, 1H); 11.6 (br s, 1H); MS-ESI: 234 [MH]+;

Reference： [1] Patent: US6809097, 2004, B1, . Location in patent: Page column 67
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1649 - 1667
[3] Journal of Medicinal Chemistry, 2008, vol. 51, # 6, p. 1668 - 1680
[4] Patent: EP1724268, 2006, A1, . Location in patent: Page/Page column 48
[5] Patent: EP3293177, 2018, A1, . Location in patent: Paragraph 0199; 0201

4
[ 39106-79-1 ]
[ 205448-65-3 ]

Reference： [1] Patent: CN106543080, 2017, A,

5
[ 27492-84-8 ]
[ 205448-65-3 ]

Reference： [1] Patent: EP3293177, 2018, A1,

[ 205448-65-3 ] Synthesis Path-Downstream 1~88

1
[ 205448-64-2 ]
[ 205448-65-3 ]

Yield	Reaction Conditions	Operation in experiment
80%	In diphenyl ether-biphenyl eutectic; at 40 - 190℃; for 1h;	5-((3-Methoxy-4-methoxycarbonylanilino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (10 g, 29.8 mmol) was suspended in DOWTHERM A, (trade mark of Fluka Chemie AG), (125 ml) and heated to 180-190 C. over 30 minutes.. The starting material dissolved at 100 C. and carbon dioxide came off at approximately 180 C. The heating was stopped after a further 30 minutes and the product precipitated out as the temperature dropped.. Upon reaching 40 C. ether was added and the mixture was stirred for 30 minutes.. The solid was collected by filtration, washed with ether and dried under vacuum to give 7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one (5.56 g, 80%). 11H NMR Spectrum: (DMSOd6) 3.80 (s, 3H); 3.85 (s, 3H); 5.95 (d, 1H); 7.00 (s, 1H); 7.85 (d, 1H); 8.40 (s, 1H); 11.6 (br s, 1H); MS-ESI: 234 [MH]+;
80.7%	In diphenylether; biphenyl; at 170 - 185℃; for 0.75h;Inert atmosphere;	45 g (292 mmol) of biphenyl was weighed into a three-necked flask, 150 mL of diphenyl ether was added, the solvent was heated to 180 C under nitrogen atmosphere, and 18 g (53.7 mmol) of compound 4 was rapidly added under a nitrogen atmosphere, and a large amount of gas was released. The temperature was maintained at 170 to 185 C, and the reaction was continued for 45 minutes to stop the heating. Cooled to room temperature, a large amount of yellow solid precipitated, added petroleum ether, filtered, filter cakeThe crude product was washed well with diethyl ether.The crude product was purified by petrol-ethyl acetate (5:2 by volume), suction filtered and dried.A yellow solid (5) of 10.11 g was obtained in a yield of 80.7%.
27.3%	at 175℃; for 2.33h;	After heating biphenylphenoxybenzene (360 mL) to 175 C, Compound 3 (30 g, 89.47 mmol, 1 eq) was added portionwise at 175 C over 20 min. Stirring was continued at 175 C for another 2 h. The reaction mixture was cooled to room temperature (l6C), and petroleum ether (500 mL) was added. The resulting solid was filtered, and the filter cake washed with 100 mL of methyl tertiary butyl ether, dried under vacuum, and purified by flash silica gel chromatography (ISCO; 120 g SepaFlash Silica Flash Column, Eluent of 0-10% CH30H/CH2Cl2 50 mL/min) to give Compound 4 as a yellow solid (6 g, 27.3% yield). NMR (400 MHz, DMSO-d6) delta 11.70 (br s, 1H), 8.43 (s, 1H), 7.86 (br d, 1H), 7.02 (s, 1H), 5.99 (d, 1H), 3.89 (s, 3H), 3.81 (s, 3H); MS (El) for C12H11NO4, found 233.9 (MH+).

	In diphenylether; biphenyl; at 240℃; for 1h;	Methyl 4-amino-2-methoxy-benzoate (1.07 g) and 5-methoxymethylene-2,2-dimethyl-[1,3]dioxan-4,6-dione (1.0 g) were dissolved in 2-propanol (20 ml), and the mixture was stirred at 70C for one hr. The solvent was removed by distillation under the reduced pressure, and the residue was washed with ether to give methyl 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoate (1.71 g, yield 95%). Methyl 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino ]-2-methoxy-benzoate (1.70 g) and biphenyl (4.76 g) were suspended in diphenyl ether (15 ml), and the suspension was stirred at 240C for one hr. The suspension was cooled to room temperature, and the precipitated crystal was collected by filtration and was washed with ether. The crystal thus obtained as such was used in the next reaction without further purification. N,N-Dimethylformamide (2 drops) was added to the crystal thus obtained. Further, phosphorus oxychloride (2.5 ml) was added thereto, and the mixture was stirred at 100C for 2 hr. The solvent was removed by distillation under the reduced pressure, and water was added to the residue under ice cooling. The aqueous layer was neutralized with an aqueous sodium hydrogencarbonate solution, and the organic layer was extracted with ethyl acetate. The ethyl acetate layer was washed with water and was dried over anhydrous sodium sulfate. The solvent was removed by distillation under the reduced pressure, and the residue was purified by thin layer chromatography with a methanol-chloroform system to give methyl 4-chloro-7-methoxy-quinoline-6-carboxylate (707 mg, yield 55%) (2 steps).
	In diphenylether; at 220℃; for 0.5h;	Compound 1A (270.00 g, 805.23 mmol) was added to diphenyl ether (2.70 L). The system was heated up to an outer temperature of 220 C and kept refluxing for half an hour. The completion of the reaction was detected by TLC. The reaction solution was spontaneously cooled to 140 C and then methyl tert-butyl ether (1 L) was slowly added dropwise. The reaction solution was allowed to stand for 12 hours and then cooled to 30 C. The reaction solution was filtered and the solid was washed with methyl tert-butyl ether (300 ml * 3) and then dryed by an oil pump. Compound 1B (160.00 g, 583.14 mmol, the yield was 72.42% and the purity was 85%) was obtained as a gray solid. NMR (DMSO) demonstrated that the product was correct. 1H NMR (400 MHz, DMSO-d6) ppm 3.81 (s, 3 H) 3.90 (s, 3 H) 5.99 (d, J=7.28 Hz, 1 H) 7.02 (s, 1 H) 7.84 - 7.92 (m, 1 H) 8.43 (s, 1 H) 11.72 (d, J=3.76 Hz, 1 H)
114 g	In diphenylether; at 185 - 190℃; for 2h;	Heated the mixture of compound of formula-4a (250 g) and Diphenyl ether (3000 ml) to l85-l90C and stirred for 2 hours at the same temperature. Cooled the reaction mixture to 30-35C and stirred the reaction mixture for 1 hour at the same temperature. Filtered the solid. Acetone was added to above obtained solid at 25-30C. The mixture was heated to 55-60C and stirred for 1 hour at the same temperature. Cooled the mixture to 25-30C and stirred for l hour at the same temperature. Filtered the solid, washed with acetone and dried to get the title compound. Yield: 114 g, Purity by HPLC: 97.51%, MR: 238-244C.

Reference： [1]Patent: US6809097,2004,B1 .Location in patent: Page column 67
[2]Patent: CN109456267,2019,A .Location in patent: Paragraph 0026; 0027
[3]Patent: WO2019/148043,2019,A1 .Location in patent: Paragraph 000410; 000412
[4]Journal of Medicinal Chemistry,2008,vol. 51,p. 1649 - 1667
[5]Journal of Medicinal Chemistry,2008,vol. 51,p. 1668 - 1680
[6]Patent: EP1724268,2006,A1 .Location in patent: Page/Page column 48
[7]Patent: EP3293177,2018,A1 .Location in patent: Paragraph 0199; 0201
[8]Patent: WO2019/111283,2019,A1 .Location in patent: Page/Page column 26; 29; 30

2
[ 205448-65-3 ]
[ 205448-66-4 ]

Yield	Reaction Conditions	Operation in experiment
94.53%	With trichlorophosphate; In toluene; at 25 - 95℃;	10.0 g of methyl 7-methoxy-4-oxo-1, 4-dthydroquinoline-6-carboxylate, 90 mL of toluene and 8.2 g of phosphoryl chloride were taken in a flask at 25-3OoC and heated to 90-95oC for 3-4 hours. The reaction was cooled to 25-3OoC and 100 mL of demineralized water was added to the above reaction mass. The organic layer was washed with 50 mL of demineralized water and to this 41 mL of 20% sodium hydroxide solution was added. The resulting compound was filtered, washed and dried under reduced pressure to obtain the title compound.Yield: 94.53 %; HPLC purity: 99.61%
76.32%	With thionyl chloride; N,N-dimethyl-formamide; for 1h;Reflux; Inert atmosphere;	Compound 1B (3.00 g, 12.86 mmol) was added to thionyl chloride (30.00 mL). N,N-Dimethylformamide (93.99mg, 1.29 mmol) was then added to the reaction system. The reaction solution was protected by nitrogen and then heatedup to an outer temperature of 90 C and reacted under refluxing for 1 hour. The completion of the reaction was detectedby TLC. The aqueous phase was combined and concentrated to dryness. The residue was dissolved in ice water (50ml) and extracted with ethyl acetate (20 ml * 2). The aqueous phase was extracted with dichloromethane (30 ml * 5).The dichloromethane phase was washed with NaCl solution (20 ml * 2) and dried over sodium sulfate, and then pumpdriedby a water pump to give compound 37A (2.60 g, 9.81 mmol, the yield was 76.32%, and the purity was 95%) as agray solid.1H NMR (400 MHz, DMSO-d6) ppm 3.87 (s, 3 H) 3.98 (s, 3 H) 7.60 (s, 1 H) 7.66 (d, J=4.77 Hz, 1 H) 8.41 (s, 1 H) 8.83(d, J=4.77 Hz, 1 H)
70%	With thionyl chloride; N,N-dimethyl-formamide; for 2h;Heating / reflux;	A mixture of <strong>[205448-65-3]7-methoxy-6-methoxycarbonyl-1,4-dihydroquinolin-4-one</strong> (5.4 g, 23 mmol), DMF (0.4 ml) and thionyl chloride (75 ml) was heated at reflux for 2 hours and then stirred at ambient temperature for a further 2 hours.. The excess thionyl chloride was removed by evaporation and by azeotroping with toluene.. The residue was suspended in methylene chloride and washed with saturated aqueous sodium hydrogen carbonate solution.. The organic layer was separated, dried by passing through phase separating paper and the solvent was removed by evaporation.. The residue was suspended in ether, collected by filtration, washed with hexane and dried to give 4-chloro-7-methoxy-6-methoxycarbonylquinoline (4.06 g, 70%) as an orange solid. 1H NMR Spectrum: (DMSOd6) 3.86 (s, 3H); 3.98 (s, 3H); 7.58 (s, 1H); 7.64 (d, 1H); 8.40 (s, 1H); 8.82 (d, 11H); MS-ESI: 252 [MH]+.

	With trichlorophosphate;N,N-dimethyl-formamide; at 100℃; for 2h;	Methyl 4-amino-2-methoxy-benzoate (1.07 g) and 5-methoxymethylene-2,2-dimethyl-[1,3]dioxan-4,6-dione (1.0 g) were dissolved in 2-propanol (20 ml), and the mixture was stirred at 70C for one hr. The solvent was removed by distillation under the reduced pressure, and the residue was washed with ether to give methyl 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoate (1.71 g, yield 95%). Methyl 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino ]-2-methoxy-benzoate (1.70 g) and biphenyl (4.76 g) were suspended in diphenyl ether (15 ml), and the suspension was stirred at 240C for one hr. The suspension was cooled to room temperature, and the precipitated crystal was collected by filtration and was washed with ether. The crystal thus obtained as such was used in the next reaction without further purification. N,N-Dimethylformamide (2 drops) was added to the crystal thus obtained. Further, phosphorus oxychloride (2.5 ml) was added thereto, and the mixture was stirred at 100C for 2 hr. The solvent was removed by distillation under the reduced pressure, and water was added to the residue under ice cooling. The aqueous layer was neutralized with an aqueous sodium hydrogencarbonate solution, and the organic layer was extracted with ethyl acetate. The ethyl acetate layer was washed with water and was dried over anhydrous sodium sulfate. The solvent was removed by distillation under the reduced pressure, and the residue was purified by thin layer chromatography with a methanol-chloroform system to give methyl 4-chloro-7-methoxy-quinoline-6-carboxylate (707 mg, yield 55%) (2 steps).
131 g	With trichlorophosphate; In dichloromethane; N,N-dimethyl-formamide; at 40 - 45℃; for 7h;	The mixture of compound of formula-5a (150 g), dichloromethane (750 ml), dimethylformamide (11.25 ml) and phosphoryl chloride (138 g) was heated to 40-45C and stirred it for 7 hours at the same temperature. Cooled the reaction mixture to 25-30C and the reaction mixture was quenched into water. Basified the mixture using aqueous potassium carbonate solution at 25-30C. Both the aqueous and organic layers were separated. Aqueous layer was extracted with dichloromethane. Combined the organic layers and washed with water. Distilled off the solvent completely under reduced pressure and co-distilled with methyl tert-butyl ether. Methyl tert-butyl ether (600 ml) was added to the above obtained solid, mixture was heated to 55-60C and stirred for 45 minutes at the same temperature. Cooled the mixture to 25-30C and stirred for 1 hour at the same temperature. Filtered the solid, washed with methyl tert-butyl ether and dried to get the title compound. Yield: 131 g, Purity by HPLC: 99.81%, MR: l36-l43C.
0.95 g	With thionyl chloride; In N,N-dimethyl-formamide; at 125℃; for 3h;	7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylic acid methyl ester(2, Reference method synthesis: Chinese Journal of Medicinal Chemistry, 2015, 285-288) 2.56g was placed in a 50mL dry eggplant-shaped bottle,20 mL of dichlorosulfoxide and 3 drops of DMF were added thereto, and the mixture was stirred under reflux at 125 C. for 3 h.After the reaction, the dichlorosulfoxide was spin-dried, 100 mL of dichloromethane was added to the solution to completely dissolve it, poured into 200 mL of a saturated sodium bicarbonate solution, and the mixture was stirred for 1 hour until no bubbles appeared.Extraction, washing once with 100 mL of saturated saline, collecting the organic phase, and passing through flash column chromatography (DCM: MeOH = 300: 1 to 100: 1)0.95 g of a pale yellow solid was obtained.

Reference： [1]Patent: WO2019/92625,2019,A1 .Location in patent: Page/Page column 8; 9
[2]Journal of Medicinal Chemistry,2008,vol. 51,p. 1649 - 1667
[3]Patent: EP3293177,2018,A1 .Location in patent: Paragraph 0251; 0252
[4]Patent: US6809097,2004,B1 .Location in patent: Page column 67
[5]Journal of Medicinal Chemistry,2008,vol. 51,p. 1668 - 1680
[6]Patent: EP1724268,2006,A1 .Location in patent: Page/Page column 48
[7]Patent: WO2019/111283,2019,A1 .Location in patent: Page/Page column 26; 27; 30
[8]Patent: CN110437223,2019,A .Location in patent: Paragraph 0018-0020

Yield	Reaction Conditions	Operation in experiment
		A suspension of a portion (25 g) of the material so obtained in a mixture of diphenyl ether (225 ml) and biphenyl (75 ml) was stirred and heated to 240 C. for 1 hour. The solution was allowed to cool to ambient temperature. The resultant precipitate was isolated and washed with diethyl ether. There was thus obtained methyl 7-methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate (14 g); NMR Spectrum: (DMSOd6) 3.81 (s, 3H), 3.89 (s, 3H), 5.99 (d, 1H), 7.01 (s, 1H), 7.85 (m, 1H), 8.42 (s, 1H), 11.71 (broad s, 1H); Mass Spectrum: M+H+ 234.

4
[ 39106-79-1 ]
[ 205448-65-3 ]

Reference： [1]Patent: CN106543080,2017,A

5
C₁₂H₁₂ClNO₄ [ No CAS ]
[ 205448-65-3 ]

Yield	Reaction Conditions	Operation in experiment
99.1%	With N-ethyl-N,N-diisopropylamine; In chloroform; for 12h;Reflux;	C) 270 g of compound III was put into 1500 g of trichloromethane, 280 g of N, N-diisopropylethylamine was added,Heated to reflux, after 8 hours of reaction a large number of solid precipitation, continue to react for 4 hours, the temperature dropped to 25 ,Filtration, acetonitrile washing, washing with water, drying at 80 C to obtain the desired product, 232 g, yield 99.1%Purity of 99.3%.

Reference： [1]Patent: CN106543080,2017,A .Location in patent: Paragraph 0028; 0031; 0032; 0035; 0036; 0039; 0040; 0043

6
[ 27492-84-8 ]
[ 205448-65-3 ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: CN109456267,2019,A
[3]Patent: WO2019/111283,2019,A1
[4]Patent: WO2019/148043,2019,A1

7
[ 205448-65-3 ]
C₁₈H₁₅ClN₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

8
[ 205448-65-3 ]
C₂₂H₂₂N₄O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

9
[ 205448-65-3 ]
C₂₃H₂₂N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

10
[ 205448-65-3 ]
C₂₆H₃₀ClN₅O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

11
[ 205448-65-3 ]
C₂₃H₂₁ClF₂N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

12
[ 205448-65-3 ]
C₂₁H₁₉ClN₄O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

13
[ 205448-65-3 ]
C₂₁H₁₇ClN₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

14
[ 205448-65-3 ]
C₂₂H₂₀ClN₃O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

15
[ 205448-65-3 ]
C₂₂H₁₈ClF₃N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

16
[ 205448-65-3 ]
C₂₁H₁₇ClN₄O₂S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

17
[ 205448-65-3 ]
C₂₁H₁₇ClN₄O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

18
[ 205448-65-3 ]
C₂₁H₁₈F₂N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₁H₁₈Cl₂N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₄H₁₉ClN₄O₅*ClH [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₁H₁₈N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₃H₂₅ClN₃O₅P [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₁H₂₁ClN₃O₅P [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

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[ 205448-65-3 ]
C₂₂H₂₀ClN₅O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

25
[ 205448-65-3 ]
C₂₂H₁₈ClN₅O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

26
[ 205448-65-3 ]
C₂₆H₁₉F₃N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

27
[ 205448-65-3 ]
C₂₀H₁₄N₄O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

28
[ 205448-65-3 ]
C₂₁H₁₈F₂N₄O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

29
[ 205448-65-3 ]
C₂₀H₁₇ClN₄O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

30
[ 205448-65-3 ]
C₂₀H₁₅ClN₄O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

31
[ 205448-65-3 ]
C₂₅H₂₃ClN₄O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

32
[ 205448-65-3 ]
C₂₃H₂₄ClN₃O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

33
[ 205448-65-3 ]
C₂₃H₂₁ClN₄O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

34
[ 205448-65-3 ]
C₂₂H₁₉ClF₂N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

35
[ 205448-65-3 ]
C₂₃H₁₉N₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

36
[ 205448-65-3 ]
C₂₃H₂₂N₆O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

37
[ 205448-65-3 ]
C₁₈H₁₅N₃O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

38
[ 205448-65-3 ]
C₁₈H₁₇N₃O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

39
[ 205448-65-3 ]
4-(indolin-5-oxy)-7-methoxyquinoline-6-formamide [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

40
[ 205448-65-3 ]
C₁₆H₁₀ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

41
[ 205448-65-3 ]
C₂₂H₂₃ClN₄O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

42
[ 205448-65-3 ]
C₂₂H₂₅ClN₄O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

43
[ 205448-65-3 ]
C₂₃H₂₃ClN₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

44
[ 205448-65-3 ]
C₁₈H₁₃ClN₂O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

45
[ 205448-65-3 ]
[ 417723-07-0 ]

Reference： [1]Patent: EP3293177,2018,A1

46
[ 205448-65-3 ]
C₁₉H₁₃ClN₂O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

47
[ 205448-65-3 ]
C₂₁H₁₈ClN₃O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

48
[ 205448-65-3 ]
C₁₇H₁₀ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

49
[ 205448-65-3 ]
C₁₇H₁₂ClN₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

50
[ 205448-65-3 ]
C₂₃H₁₉ClF₃N₃O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

51
[ 205448-65-3 ]
C₂₂H₁₇ClF₃N₃O₄S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

52
[ 205448-65-3 ]
C₁₇H₁₁ClN₂O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

53
[ 205448-65-3 ]
C₁₇H₁₀ClN₃O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

54
[ 205448-65-3 ]
C₁₇H₁₂ClN₃O₂ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

55
[ 205448-65-3 ]
C₁₈H₁₀ClN₃O₂S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

56
[ 205448-65-3 ]
C₁₇H₁₃F₂N₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

57
[ 205448-65-3 ]
C₁₈H₁₁F₂N₃O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

58
[ 205448-65-3 ]
C₁₂H₁₀ClNO₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62.7%	With N-chloro-succinimide; acetic acid; at 25℃; for 12h;	N-chlorosuccinimide (916.08 mg, 6.86 mmol) was added to 15 ml of acetic acid solution of Example 1B (1 g,4.29 mmol) and then stirred at 25 C for 12 hours, filtered, the filter cake was washed with 20 ml of a mixed solvent ofmethanol and dichloromethane (3: 1), and then washed with 20 ml of petroleum ether and dried to give a compound84A (800 mg, the yield was 62.70%) as a creamy white solid.1H NMR (400MHz, DMSO-d6) = 12.22 (br, 1H), 8.47 (s, 1H), 8.38 (d, J=6.0 Hz, 1H), 7.07 (s, 1H), 3.90 (s, 3H), 3.82 (s, 3H)

Reference： [1]Patent: EP3293177,2018,A1 .Location in patent: Paragraph 0298; 0299

59
[ 205448-65-3 ]
C₁₂H₉Cl₂NO₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

60
[ 205448-65-3 ]
C₁₈H₁₂Cl₂N₂O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

61
[ 205448-65-3 ]
C₁₈H₁₄Cl₂N₂O₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

62
[ 205448-65-3 ]
C₁₇H₁₃Cl₂N₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

63
[ 205448-65-3 ]
C₁₇H₁₁ClFN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

64
[ 205448-65-3 ]
C₁₇H₁₃ClFN₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

65
[ 205448-65-3 ]
C₁₈H₁₁ClFN₃O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

66
[ 205448-65-3 ]
C₂₄H₁₇ClFN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

67
[ 205448-65-3 ]
C₂₃H₁₈ClN₃O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

68
[ 205448-65-3 ]
C₂₈H₃₂ClN₅O₇ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

69
[ 205448-65-3 ]
C₁₈H₁₆ClN₅O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

70
[ 205448-65-3 ]
C₁₈H₁₄N₄O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

71
[ 205448-65-3 ]
C₁₈H₁₃BrClNO₄ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

72
[ 205448-65-3 ]
C₂₁H₁₈ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

73
[ 205448-65-3 ]
C₂₄H₂₂ClN₃O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

74
[ 205448-65-3 ]
C₂₂H₁₈ClN₃O₆ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

75
[ 205448-65-3 ]
C₁₉H₁₂ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

76
[ 205448-65-3 ]
C₁₉H₁₄ClN₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

77
[ 205448-65-3 ]
C₁₉H₁₄ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1
[2]Patent: EP3293177,2018,A1

78
[ 205448-65-3 ]
C₂₀H₁₈N₂O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

79
[ 205448-65-3 ]
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yloxy)phenyl]acetic acid [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

80
[ 205448-65-3 ]
[ 771464-30-3 ]

Reference： [1]Patent: EP3293177,2018,A1

81
[ 205448-65-3 ]
C₁₀H₉ClN₂O [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

82
[ 205448-65-3 ]
C₁₂H₁₁ClN₂O₂ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

83
[ 205448-65-3 ]
C₁₈H₁₄ClN₃O₅ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

84
[ 205448-65-3 ]
C₁₈H₁₆ClN₃O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

85
[ 205448-65-3 ]
C₁₉H₁₄ClN₃O₃S [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

86
[ 205448-65-3 ]
C₁₉H₁₇N₅O₃ [ No CAS ]

Reference： [1]Patent: EP3293177,2018,A1

87
[ 205448-65-3 ]
[ 417721-34-7 ]

Yield	Reaction Conditions	Operation in experiment
	With water; sodium hydroxide; In methanol; at 30℃; for 2h;	Sodium hydroxide (233.60 g, 5.84 mol) was dissolved in tap water (1.50 L) and added to a methanol (1.50 L) solution of compound 1B (680.00 g, 2.92 mol). The reaction solution was stirred at an outer temperature of 30 C for two hours. The completion of the reaction was detected by TLC. The reaction solution was dryed by a water pump. The residue was added with water (1 L) and hydrochloric acid (3 equiv., 1.5 L) till the pH value was 3. The solution was filtered and the obtained solid was washed with water (300 ml * 2) and methyl tert-butyl ether (300 ml * 2). The solid was then dried with toluene (300 ml * 3). Compound 1C (650.00 g, crude) was obtained as a yellow solid. NMR (DMSO) demonstrated that the product was correct. 1H NMR (400 MHz, DMSO-d6) ppm 3.89 (s, 3 H) 6.22 (d, J=7.28 Hz, 1 H) 7.14 (s, 1 H) 8.04 (d, J=7.28 Hz, 1 H) 8.42 (s, 1 H)

Reference： [1]Patent: EP3293177,2018,A1 .Location in patent: Paragraph 0199; 0202

88
[ 205448-65-3 ]
[ 417721-35-8 ]

Reference： [1]Patent: EP3293177,2018,A1

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 205448-65-3 ] {[proInfo.proName]}

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[ 205448-65-3 ] Synthesis Path-Upstream 1~5

[ 205448-65-3 ] Synthesis Path-Downstream 1~88

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Ethers

Esters

Ketones

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Quinolines

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[ 205448-65-3 ]

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[ 205448-65-3 ]