1198001-03-4|2'-(tert-Butyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one| Ambeed

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CAS No. :	1198001-03-4
Formula :	C₁₄H₂₁N₃O₂
M.W :	263.34
SMILES Code :	CC(C)(N1C=C2OC3(CC(C2=N1)=O)CCNCC3)C
MDL No. :	MFCD14585433

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Yield	Reaction Conditions	Operation in experiment
78%	With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20℃; for 12.5h;	According to the method of Example 1, the compound 2'-(tert-butyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-7'( 6'H)-ketone.Under ice bath conditions, the 2'-(tert-butyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-7'(6'H )-Ketone (400mg, 1.1mmol), HATU (458mg, 1.2mmol), triethylamine (0.2ml, 1.2mmol) were dissolved in 10mL DMF, stirred at 0 for 0.5h, then added <strong>[5466-31-9]2-(4-chlorophenyl)quinoline-4-carboxylic acid</strong> (1mmol, 285mg), react at room temperature for 12h; add the reaction solution to 50mL ice water, extract with dichloromethane, combine the organic phases, dry with anhydrous sodium sulfate, concentrate under reduced pressure, and pass the crude product through a silica gel column Chromatographic purification to obtain title compound I4.
78%	With triethylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 12h;	General procedure: (A) Pyruvic aldehyde (2, 25 mmol) was added dropwise to asolution of 1 (30 mmol) in H2O (100 mL), and after stirring atroom temperature for 2 h, the mixture was extracted withCH2Cl2, dried with anhydrous Na2SO4, and concentrated invacuo to afford hydrazine 3. Then, a 40% aqueous solution ofglyoxal (25 mL) was added to a solution of 3 (62 mmol) inH2O (100 mL). The mixture was heated at reflux for 5 h andextracted with ethyl acetate. The organic phase was dried,filtered, and concentrated to give 4 as yellow solid. Tetrahydropyrrole(8 mmol) was added to a solution of 4 (24 mmol)in MeOH (45 mL), and after stirring at room temperature for2 h, 1-(N-Boc)-4-piperidone (28 mmol) was subsequentlyadded, with the mixture heated at reflux for 24 h. Themixture was concentrated in vacuo and purified via columnchromatography to give 5. The Boc-protecting group wasremoved using trifluoroacetic acid in CH2Cl2 to provide 6.Finally, appropriate quinoline-4-carboxylic acid derivatives(1 mmol) was added to the mixture of 6 (1.1 mmol), HATU(1.2 mmol), and triethylamine (0.2 mL) in DMF (10 mL). Themixture was stirred at room temperature overnight, andthen added to ice water. The resulting precipitate wasfiltered, dried, and purified by column chromatography togive target compounds 7a~7m and 7q~7u.

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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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Disposal
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CAS No.: 1198001-03-4

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CAS No.: 1198001-03-4

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Application In Synthesis of [ 1198001-03-4 ]

[ 1198001-03-4 ] Synthesis Path-Downstream 1~1

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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