[ CAS No. 23126-68-3 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 23126-68-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 23126-68-3 ]

Product Details of [ 23126-68-3 ]

CAS No. :	23126-68-3	MDL No. :	MFCD00597978
Formula :	C₈H₇NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	165.15	Pubchem ID :	-
Synonyms :

Safety of [ 23126-68-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 23126-68-3 ]

* 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 [ 23126-68-3 ]
Downstream synthetic route of [ 23126-68-3 ]

[ 23126-68-3 ] Synthesis Path-Upstream 1~1

1
[ 23126-68-3 ]
[ 20332-16-5 ]

Reference： [1] Medicinal Chemistry Research, 2005, vol. 14, # 6, p. 347 - 368

Yield	Reaction Conditions	Operation in experiment
75%	With iodine; magnesium; In N,N-dimethyl-formamide; at 90℃; for 0.583333h;Microwave irradiation;	A 10 mL reaction flask was placed on a magnetic stirrer, and substituted o-aminopiperonal (ketone) II-1 (123.8 mg, 0.75 mmol), tricycloketone lactone III (131.5 mg, 0.5 mmol) and iodine (12.7) were added. Mg, 0.05mmol), slowly add N, N-dimethylformamide (1.5mL) and stir for 5 minutes, put into the microwave reactor, set the power 100W, heating temperature 90 C, heatingOpen the exhaust fan for 30 minutes. After the reaction was completed, the mixture was cooled to room temperature, quenched with ice water, extracted with dichloromethane and brine, and the organic phase was collected, dried over anhydrous magnesium sulfate, filtered and evaporated. Chromatography (eluent is dichloromethane/ethyl acetate, v/v = 4:1),The pale yellow target product (147.5 mg, yield 75%, purity ? 98%) was obtained.

Yield	Reaction Conditions	Operation in experiment
89%	With sodium methylate In methanol for 0.25h; Heating;

Yield	Reaction Conditions	Operation in experiment
93%	With sodium ethanolate In ethanol for 2h; Heating;
92%	With Poly(2-acrylamido-2-methylpropanesulfonic acid-co-acrylic acid) In neat (no solvent) at 110℃; for 0.666667h; Green chemistry;	General Procedure for the Synthesis of Quinolines General procedure: To mixture of a-methylene carbonyl compounds (1.2 mmol) and o-aminoaryl ketones oraldehydes (1 mmol) was added cross-linked poly(AMPS-co-AA) (0.06 g) [for solid substrates0.1 ml of ethanol was added] and the mixture was heated on an oil bath at 110Cfor the time show in Table 2. Upon completion of the reaction as indicated by TLC (hexane:ethyl acetate, 8:2), the appropriate amounts of hot EtOH (96%, 5 ml) was added andthe mixture stirred for 10 min. After separation of the catalyst by filtration, the filtratewas concentrated in vacuum to remove the ethanol. The residue was washed with coldwater and crystallized from hot ethanol (3 ml) to afford the pure products characterizedby comparison between their mp, IR and NMR data with those of authentic samples.

Yield	Reaction Conditions	Operation in experiment
73%	With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; benzoic acid In N,N-dimethyl-formamide at -25℃; for 27h;

Yield	Reaction Conditions	Operation in experiment
78%	With sodium hydroxide In ethanol at 70℃;
	With sodium hydroxide In ethanol at 70℃; for 0.5h;	2.3 General procedure of target 2-aminoquinoline-3-carboxamides[2] General procedure: Add 2-aminoaldehyde (1 mmol) and corresponding cyanoacetamides(1 mmol) to 5 mL NaOH ethanol solution(10 mol%). The reaction was heated to 70 °C for 30 min. The reaction mixture was allowed to cool to ambient temperature. The formed precipitate was collected and washed by cold ethanol. The synthesis of 1a, 2a-b, 3a, 4a-v, 5a, 6a-b was followed this procedure with a yield ranging from 52% to 78%

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 70 °C 2: 110 °C / neat (no solvent)

Yield	Reaction Conditions	Operation in experiment
62%	Stage #1: 6-amino-benzo[1,3]dioxole-5-carbaldehyde With hydrogenchloride; sodium nitrite In water at 5℃; Stage #2: With tetrafluoroboric acid In water at 60 - 70℃; for 8h;

Yield	Reaction Conditions	Operation in experiment
58%	Stage #1: 6-amino-benzo[1,3]dioxole-5-carbaldehyde With sulfuric acid; sodium nitrite In water at 5℃; Stage #2: With water; copper(II) sulfate at 100℃; for 8h;

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In ethanol at 70℃; for 0.5h;	2.3 General procedure of target 2-aminoquinoline-3-carboxamides[2] General procedure: Add 2-aminoaldehyde (1 mmol) and corresponding cyanoacetamides(1 mmol) to 5 mL NaOH ethanol solution(10 mol%). The reaction was heated to 70 °C for 30 min. The reaction mixture was allowed to cool to ambient temperature. The formed precipitate was collected and washed by cold ethanol. The synthesis of 1a, 2a-b, 3a, 4a-v, 5a, 6a-b was followed this procedure with a yield ranging from 52% to 78%

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide In ethanol at 70℃; for 0.5h;	2.3 General procedure of target 2-aminoquinoline-3-carboxamides[2] General procedure: Add 2-aminoaldehyde (1 mmol) and corresponding cyanoacetamides(1 mmol) to 5 mL NaOH ethanol solution(10 mol%). The reaction was heated to 70 °C for 30 min. The reaction mixture was allowed to cool to ambient temperature. The formed precipitate was collected and washed by cold ethanol. The synthesis of 1a, 2a-b, 3a, 4a-v, 5a, 6a-b was followed this procedure with a yield ranging from 52% to 78%

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[ CAS No. 23126-68-3 ] {[proInfo.proName]}

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[ 23126-68-3 ] Synthesis Path-Upstream 1~1

[ 23126-68-3 ] Synthesis Path-Downstream 1~13

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