718632-47-4|5-(tert-Butyl) 1-ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate| Ambeed

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CAS No. :	718632-47-4
Formula :	C₁₅H₂₄N₄O₄
M.W :	324.38
SMILES Code :	O=C(N1N=C(N)C2=C1C(C)(C)N(C(OC(C)(C)C)=O)C2)OCC
MDL No. :	MFCD22376574

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
76%	With methanol; lithium hydroxide; at 20℃; for 2h;	EXAMPLE B1 : N2-ethyl-5-fluoro-N4-(5-(r(2S.5R)-4-(3-methoxypropyn-2.5- dimethylpiperazin-i-yllcarbonvD-theta.theta-dimethyl-I lambda.delta.beta-tetrahvdropyrroloPlambda-cipyrazol-S- vhpyrimidine-2,4-diamine acetate salt; lntermediate BKi): Tert-butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1 H)-carboxylate.; To a slurry of 5-tert-butyl 1 -ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4- c]pyrazole-1 ,5-dicarboxylate (25.00 g, 77.1 mmol) in MeOH (50 ml_) was added LiOH(1.92 g, 77.1 mmol). The reaction was stirred at room temperature for 2h then concentrated. The crude reaction mixture was taken up in EtOAc (50 mL) then washed with NaHCO3 (20 mL) and water (20 mL). The organic layer was dried (MgSO4), filtered and concentrated to give an orange solid which was triturated with ACN then filtered and rinsed with ACN (50 mL) to give the title compound BKi) as a white solid (14.8 g, 76%).1H NMR (300 MHz, DMSO-cfe) delta ppm 1.40- 1.46 (m, 9 H), 1.47- 1.54 (m, 6 H), 4.03- 4.17(m, 2 H), 4.95 (br. s., 1 H), 11.15 (s, 1 H). Mass spectrum: Calcd for C12H21N4O2 (M+H):253. Found 253.
	With methanol; sodium hydroxide; water; at 20℃; for 3h;	Intermediate EKII): te/t-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole- 5(1H)-carboxylate <n="37"/>Reagent 5-tert-butyl 1 -ethyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4- c]pyrazole-1 ,5-dicarboxylate, EKI).(10.97q. 33.9mmol) was dissolved in MeOH (20OmL) after which NaOH (5eq, 169mmol) was added. After stirring the mixture at room temperature for 3h, the starting material disappeared. After removal of MeOH, add H2O and AcOEt was added, and the product was extracted with AcOEt and dried over Na2SO2 followed by concentration to afford EKII).

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Response
Code	Phrase
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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:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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CAS No.: 718632-47-4

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CAS No.: 718632-47-4

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[ 718632-47-4 ] Synthesis Path-Downstream 1~3

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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