1610703-68-8|tert-Butyl 4-azido-3,3-difluoropyrrolidine-1-carboxylate| Ambeed

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CAS No. :	1610703-68-8
Formula :	C₉H₁₄F₂N₄O₂
M.W :	248.23
SMILES Code :	O=C(N1CC(F)(F)C(N=[N+]=[N-])C1)OC(C)(C)C

Yield	Reaction Conditions	Operation in experiment
	With palladium 10% on activated carbon; hydrogen; In methanol; at 20℃; for 15.0h;Inert atmosphere;	To a stirred solution of tert-butyl 4-azido-3, 3-difluoropyrrolidine-l-carboxylate (1.4 g, 5.6 mmol) in MeOH (10 mL) was added Pd/C (10percent by weight) (0.2 g, 10percent by weight, 0.188 mmol) at RT. The mixture was degassed with nitrogen, and subsequently the mixture was stirred under a balloon at RT for 15 h . The mixture was filtered through a pad of Celite and the filtrate was concentrated in vacuo to provide tert-butyl 4-amino-3, 3-difluoropyrrolidine-l-carboxylate. MS (ESI) calc'd for (C5H9F2N202) [M-tBu+2H]+, 167; found, 167.
	With palladium on carbon; hydrogen; In ethanol; for 16.0h;	A solution of tert-butyl 4-azido-3,3-difluoropyrrolidine-1-carboxylate (3.01 g, 12.1 mmol) in ethanol (300 mL) was degassed with nitrogen and 20percent Pd/C (300 mg) was added. The resulting mixture was stirred under hydrogen atmosphere (balloon) for 16 hr. The catalyst was removed by filtration. The filtrate was evaporated to give the title product as an oil (2.63 g, 98percent yield, >85percent purity). 1H NMR (400 MHz, chloroform-d) delta ppm 3.73-3.87 (m, 2H) 3.69 (d, J=10.64 Hz, 1H) 3.50-3.62 (m, 1H) 3.13 (d, J=6.85 Hz, 1H) 1.45-1.48 (m, 9H). 19F NMR (376 MHz, chloroform-d) delta ppm ?115.05-?110.78 (m, 1F) ?120.95-?117.90 (m, 1F). m/z (APCI+) for C9H16F2N2O2 123 (M+H)+

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P321
P322
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P378
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P401
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Physical hazards
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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
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H223	Flammable aerosol
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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
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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
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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
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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

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CAS No.: 1610703-68-8

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CAS No.: 1610703-68-8

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