438050-54-5|(R)-tert-Butyl 4-(chlorocarbonyl)-3-methylpiperazine-1-carboxylate| Ambeed

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CAS No. :	438050-54-5
Formula :	C₁₁H₁₉ClN₂O₃
M.W :	262.73
SMILES Code :	O=C(N1C[C@@H](C)N(C(Cl)=O)CC1)OC(C)(C)C

Yield	Reaction Conditions	Operation in experiment
81%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	The compound 1 (200 mg) and potassium carbonate (70 mg, 2 equiv.) in dry DMF (2 ml) in, adding compound 4 (165 mg, 1 equiv.), stirring at room temperature overnight. The reaction mixture is poured into the water, filtering the separated solid, to obtain the product 5 (pale yellow powder, 277 mg, 81%)
75%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	Intermediate 94-fert-Butyl l-{4-[(3-chloro-2-fluorophenyl)aminol-7-methoxyquinazolin-6-yl\| (2K)-2- methylpiperazine- 1 ,4-dicarboxylateA mixture of Intermediate 7 (19.2 g, 60 mmol), Intermediate 8 prepared according to the above procedure and potassium carbonate (16.6 g, 120 mmol) in anhydrous DMF (300 mL) was stirred overnight at RT. The reaction mixture was poured into water (250 mL) and filtered, and the filter cake was dried under vacuum to afford Intermediate 9 (25 g, 75% yield) as yellow solid. HPLC: tR = 2.68 min in 10-80AB 6 min chromatography (Ultimate XB-C18, 3.050 mm, 3 um). LCMS: tR= 0.792 min in 5-95AB_1.5 min chromatography (Welch Xtimate C18, 2.1 30 mm, 3 um), MS (ESI) m/z 546.0 [M+H]+.
25 g	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃;	A mixture of Intermediate 7 (19.2 g, 60 mmol), Intermediate 8 prepared according to the above procedure and potassium carbonate (16.6 g, 120 mmol) in anhydrous DMF (300 mL) was stirred overnight at RT. The reaction mixture was poured into water (250 mL) and filtered, and the filter cake was dried under vacuum to afford Intermediate 9 (25 g, 75% yield) as yellow solid. HPLC: tR=2.68 min in 10-80AB-6 min chromatography (Ultimate XB-C18, 3.050 mm, 3 um). LCMS: tR=0.792 min in 5-95AB-1.5 min chromatography (Welch Xtimate C18, 2.130 mm, 3 um), MS (ESI) m/z 546.0 [M+H]+.

50 g	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 24h;	The obtained compound 8,450 mL DMF was added to the reaction flask.Cool down to below 0 C.Add 30g of compound 5,30g DIEA, after heating, warmed to room temperature, then reacted for 24h,TLC detects that compound 5 is completely reacted;Concentrate under reduced pressure to remove most of the solvent.Add 300 mL of purified water and stir.After standing for 12 h, suction filtration, and then drying at 40 to 50 C, to obtain 50 g of compound 9;
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 10h;	Intermediate C (16.0 g, 50 mmol) and potassium carbonate (13.8, 100 mmol) were added to anhydrous DMF (200 mL), and tert-butyl (3R) -4- (chlorocarbonyl) -3- was slowly added dropwise with stirring A solution of methylpiperazine-1-carboxylate (13.1g, 50mmol) in DMF (50mL) was allowed to react at room temperature for 10 hours. After the reaction, the reaction solution was poured into water (400mL), filtered, and the filter cake was washed twice with water The filter cake was vacuum dried to obtain crude intermediate E (20.3g, 73%), which can be directly used in the next reaction without post-treatment,

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Prevention
Code	Phrase
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P222	Do not allow contact with air.
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P263	Avoid contact during pregnancy/while nursing.
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P270	Do not eat, drink or smoke when using this product.
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P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
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Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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P320
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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
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P370	In case of fire:
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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
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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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.
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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
Code	Phrase
P401
P402	Store in a dry place.
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P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
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CAS No.: 438050-54-5

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CAS No.: 438050-54-5

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[ 438050-54-5 ] 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