1626394-43-1|(2S,3S)-Ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride| Ambeed

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CAS No. :	1626394-43-1
Formula :	C₁₁H₂₀ClNO₂
M.W :	233.74
SMILES Code :	O=C([C@H]1C(CC2)CCC2[C@@H]1N)OCC.[H]Cl
MDL No. :	MFCD30531327
InChI Key :	CFRFVTFZTABHIF-UANYXRBSSA-N
Pubchem ID :	127264686

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

Yield	Reaction Conditions	Operation in experiment
69%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	2,4-Dichlorothieno[2,3-d]pyrimidine (1.01 g, 4.93 mmol),(2S,3S)-3-Aminobicyclo[2.2.2]octane-2-carboxylic acid ethyl ester hydrochloride(0.98 g, 4.93 mmol) was dissolved in DMF (20 mL)K2CO3 (1.70 g, 12.33 mmol) was added to the reaction solution.The resulting mixture was stirred at room temperature overnight.H2O (50 mL) was added to the reaction mixture to quench the reaction.The resulting mixture was extracted with ethyl acetate (50 mL×3).The combined organic phases were washed with saturated brine (150 mL×3).Dry over anhydrous sodium sulfate, filter, and concentrate the filtrate under reduced pressure.The residue obtained was subjected to silica gel column chromatography(Petroleum ether / ethyl acetate (v / v) = 5 / 1) purification,The title compound was obtained as a pale yellow solid(1.25g, 69percent).
69%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	To a solution of <strong>[18740-39-1]2,4-dichlorothieno[2,3-d]pyrimidine</strong> (1.01 g, 4.93 mmol),(2S,3S)-ethyl 3-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride (1.15 g, 4.93 mmol) inDMF (20 mL) was added K2C03 (1.36 g, 9.84 mmol). The mixture was stirred at rt overnight.H20 (50 mL) was added to quench the reaction, and the resulting mixture was extracted withEtOAc (50 mL x 3). The combined organic layers were washed with saturated brine (150 mL x3), dried over anhydrous Na2S04, filtered, and the filtrate was concentrated in vacuo. The residuewas purified by silica gel chromatograph (PE/EtOAc (v/v) = 511) to give the tilte compound as alight yellow solid ( 1.25 g, 69 percent ).MS (ESI, pos. ion) m/z: 366.00 [M+Ht;1H NMR (600 MHz, CDCh) 8 (ppm): 7.26 (d, J = 6.0 Hz, 1H), 7.16 (d, J = 5.8 Hz, 1H), 4.64 (t,J = 5.3 Hz, 1H), 4.25 (q, J = 7.1 Hz, 2H), 2.45 (d, J = 5.7 Hz, 1H), 2.03 (d, J = 2.4 Hz, 1H), 1.96(d, J = 2.7 Hz, 1H), 1.89- 1.82 (m, 1H), 1.75- 1.63 (m, 6H), 1.46 (m,1H), 1.28 (t, J = 7.1 Hz,4H).

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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.: 1626394-43-1

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CAS No.: 1626394-43-1

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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