6057-90-5|3-Aminopropanoic acid hydrochloride| Ambeed

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CAS No. :	6057-90-5
Formula :	C₃H₈ClNO₂
M.W :	125.55
SMILES Code :	NCCC(O)=O.[H]Cl
MDL No. :	MFCD27579009

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium hydroxide; sodium sulfate; In ethanol; water;	EXAMPLE 7 Ethyl β-(o-Nitrobenzylamino)-propionate (see J.A.C.S., 80, 1168 (1958) o-Nitrobenzylamine hydrochloride (20.4 g., 0.114 mole) was dissolved in a minimum volume of water and the solution was made strongly basic by addition of 10% sodium hydroxide. The clear oil which formed was extracted into two 120-ml. portions of ether. The ether was dried with 10 g. of anhydrous sodium sulfate, filtered, and finally dried over Drierite. The dried solution was filtered and evaporated, leaving a yellow oil. The oil was dissolved in 100 ml. of absolute ethanol and 11.4 g (0.114 mole) of freshly distilled ethyl acrylate was added. This solution was allowed to stand overnight and the solvent removed by distillation from a steam-cone. The oily residue was dissolved in 200 ml. of dry ether, the solution was cooled in an ice bath, and treated with dry hydrogen chloride. When precipitation was complete, the solid was filtered and dissolved in 120 ml. of boiling absolute ethanol. The hydrochloride crystallized from this solution on cooling yielding 20.7 g. of the aminopropionate hydrochloride, m.p. 137.5-139.0. By concentrating and cooling the mother liquor, an additional 5 g. was obtained, m.p. 136.5-138.5, and by repeating this operation 1.1 g., m.p. 136-139, was obtained, raising the total yield to 26.8 g. (81.4%). The analytical sample was prepared by repeated crystallization from absolute ethanol to give a melting point of 138.5-139.0. Anal. calc'd. for C12 H17 O4 N2 Cl: C, 49.91; H, 5.94; N, 9.70. Found: C, 49.9; H, 5.94; N, 9.51.
	With hydrogenchloride; sodium hydroxide; sodium sulfate; In ethanol; water;	EXAMPLE 7 Ethyl β-(o-Nitrobenzylamino)-propionate (see J.A.C.S., 80, 1168 (1958) o-Nitrobenzylamine hydrochloride (20.4 g., 0.114 mole) was dissolved in a minimum volume of water and the solution was made strongly basic by addition of 10% sodium hydroxide. The clear oil which formed was extracted into two 120-ml. portions of ether. The ether was dried with 10 g. of anhydrous sodium sulfate, filtered, and finally dried over Drierite. The dried solution was filtered and evaporated, leaving a yellow oil. The oil was dissolved in 100 ml. of absolute ethanol and 11.4 g (0.114 mole) of freshly distilled ethyl acrylate was added. This solution was allowed to stand overnight and the solvent removed by distillation from a steam-cone. The oily residue was dissolved in 200 ml. of dry ether, the solution was cooled in an ice bath, and treated with dry hydrogen chloride. When precipitation was complete, the solid was filtered and dissolved in 120 ml. of boiling absolute ethanol. The hydrochloride crystallized from this solution on cooling yielding 20.7 g. of the aminopropionate hydrochloride, m.p. 137.5-139.0. By concentrating and cooling the mother liquor, an additional 5 g. was obtained, m.p. 136.5-138.5, and by repeating this operation 1.1 g., m.p. 136-139, was obtained, raising the total yield to 26.8 g. (81.4%). The analytical sample was prepared by repeated crystallization from absolute ethanol to give a melting point of 138.5-139.0. Anal. calc'd. for C12 H17 O4 N2 Cl: C, 49.91; H, 5.94; N, 9.70. Found: C, 49.9; H, 5.94; N, 9.51. SPC26

Yield	Reaction Conditions	Operation in experiment
75%	With 4-methyl-morpholine; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dichloromethane; at 20℃;	A suspension of 19.4 g (126.3 mmol) of beta-alanine hydrochloride in 150 mL of dichloromethane was prepared, 5.56 g (31.6 mmol) of 1 , 2 , 3-propanetricarboxylic acid, 13.9 mL (126.3 mmol) of N-methylmorpholine, and 24.2 g (126.3 mmol) of l-ethyl-3- (3-dimethylaminopropyl) carbodiimide(EDCI) were added, and agitation was performed at room temperature for a night. After the reaction solution was diluted with 450 mL of dichloromethane, washing wasperformed with water, 1 mol/L hydrochloric acid, saturated sodium hydrogen carbonate aqueous solution, and saturated saline solution. After an organic layer was concentrated under reduced pressure, the residue was washed with ethanol and diethyl ether, so as to obtain 11.2 g (yield 75%) of Compound (12) .Analytical result of Compound (12)[1] XH NMR (400 MHz, CDC13, room temperature): delta [ppm] = 2.07 (dd, 2H, J = 14.88, 6.64 Hz), 2.31 (ddd, 8H, J = 32.06, 15.57, 8.70 Hz), 2.96 to 2.88 (m, 1H) , 3.20 (tt, 6H, J = 19.23, 6.56 Hz), 7.75 (t, 1H, J = 5.72 Hz), 7.85 (t, 2H, J = 5.50 Hz) , 12.19 (s, 3H)[2] Mass analysis (ESI-TOF) : m/z = 388.1697 (M+H)+
75%	With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃;	19.4 g (126.3 mmol) of beta-alanine hydrochloride was suspended in 150 mL of dichloromethane. 5.56 g (31.6 mmol) of 1,2,3-propanetricarboxylic acid, 13.9 mL (126.3 mmol) of N-methylmorpholine and 24.2 g (126.3 mmol) of 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDCI) were added into the suspension, and then the suspension was stirred overnight at room temperature. The reaction solution was diluted with 450 mL of dichloromethane, and then washed with water, 1 mol/L hydrochloric acid solution, saturated sodium hydrogen carbonate aqueous solution and saturated sodium chloride solution. The organic layer was concentrated under reduced pressure, then the residue was washed with ethanol and diethyl ether to obtain 11.2 g (in 75% yield) of compound (12)

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CAS No.: 6057-90-5

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CAS No.: 6057-90-5

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P220	Keep/Store away from clothing/combustible materials.
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P322
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P378
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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.
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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.
Storage
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P401
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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
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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
H271	May cause fire or explosion; strong 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
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