tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate HCl | Azetidines

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CAS No. :	1173206-71-7
Formula :	C₉H₁₉ClN₂O₂
M.W :	222.71
SMILES Code :	Cl.CC(C)(C)OC(=O)N1CC(CN)C1
MDL No. :	MFCD11101335
InChI Key :	XJTMMJUCRQWXCE-UHFFFAOYSA-N
Pubchem ID :	45072199

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

Yield	Reaction Conditions	Operation in experiment
100%		A solution of dialdehyde C (75.4 mmol) in absolute EtOH (450 mL) was treated with l-Boc-3-(aminomethyl)-azetidine hydrochloride (18.0 g, 82.9 mmol) and AcOH (50 mL). The reaction mixture was stirred at RT for 10 min, then NaBH(OAc)3 (48 g, 226 mmol) was added. The reaction was stirred at RT and monitored by LC/MS. After 1 h the starting material was completely consumed, and the major product observed was the desired morpholine E-1 (m/z M+l, 785). The reaction mixture was then partitioned between CH2CI2 (750 mL) and H20 (750 mL), and the organic layer was collected. The aqueous layer was extracted with CH2C12 (500 mL, 400 mL), and the combined organic layers were dried over Na2S04, filtered, and concentrated in vacuo. The residue was azeotroped with toluene to completely remove AcOH and dried under high vacuum to provide E-1 as a yellow powder (64 g), which was carried on to the next step assuming quantitative yield. (Figure 2)
64 g		A solution of dialdehyde C (75.4 mmol) in absolute EtOH (450 mL) was treated with l-Boc-3-(aminomethyl)-azetidine hydrochloride (18.0 g, 82.9 mmol) and AcOH (50 mL). The reaction mixture was stirred at RT for 10 min, then NaBH(OAc)3 (48 g, 226 mmol) was added. The reaction was stirred at RT and monitored by LC/MS. After 1 h the starting material was completely consumed, and the major product observed was the desired morpholine E-1 (m/z M+l, 785). The reaction mixture was then partitioned between CH2CI2 (750 mL) and H20 (750 mL), and the organic layer was collected. The aqueous layer was extracted with CH2CI2 (500 mL, 400 mL), and the combined organic layers were dried over Na2S04, filtered, and concentrated in vacuo. The residue was azeotroped with toluene to completely remove AcOH and dried under high vacuum to provide E-1 as a yellow powder (64 g), which was carried on to the next step assuming quantitative yield. (Figure 2)

Yield	Reaction Conditions	Operation in experiment
18 g	With hydrogenchloride; In ethanol; water;	To a solution of l-Boc-3-(aminomethyl)-azetidine (15.5 g, 82.9 mmol) in EtOH (250 mL) was slowly added aq. HCl (1.0 M, 83 mL). The solvent was removed in vacuo at 38 °C, providing the hydrochloride salt of the amine as a white solid (18.0 g).
18 g	With hydrogenchloride; In ethanol; water;	To a solution of l-Boc-3-(aminomethyl)-azetidine (15.5 g, 82.9 mmol) in EtOH (250 mL) was slowly added aq. HC1 (1.0 M, 83 mL). The solvent was removed in vacuo at 38 °C, providing the hydrochloride salt of the amine as a white solid (18.0 g).

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CAS No.: 1173206-71-7

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CAS No.: 1173206-71-7

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Product Details of tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate HCl

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[ 1173206-71-7 ] Synthesis Path-Downstream 1~11

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
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P273	Avoid release to the environment.
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Code	Phrase
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P320
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P321
P322
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P342	If experiencing respiratory symptoms:
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P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
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P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
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P413
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P402 + P404	Store in a dry place. Store in a closed container.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
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Disposal
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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
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H221	Flammable gas
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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
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H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
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Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
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