505-47-5|3,3'-Azanediyldipropanoic acid| Ambeed

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CAS No. :	505-47-5
Formula :	C₆H₁₁NO₄
M.W :	161.16
SMILES Code :	O=C(O)CCNCCC(O)=O
MDL No. :	MFCD01311684

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

Yield	Reaction Conditions	Operation in experiment
84%	With sodium hydroxide; In tetrahydrofuran; water; at 4℃; for 3.0h;	To a solution of 3, 3'-azanediyldipropanoic acid (10.00 g, 62.08 mmol) in 1.0 M NaOH (300 ml) at 4 was added di-tert-butyl dicarbonate (22.10 g, 101.3 mmol) in 200 ml THF in 1 h. After addition, the mixture was kept to stirring for 2 h at 4 . The mixture was carefully acidified to pH 4 with 0.2 M H 3PO 4, concentrated in vacuo, extracted with CH2Cl2, dried over Na2SO4, evaporated and purified with flash SiO2 chromatography eluted with AcOH/MeOH/CH 2Cl 2 (0.01: 1: 5) to afford 3, 3'- ( (tert-butoxycarbonyl) azanediyl) dipropanoic acid (13.62 g, 84%yield) . ESI MS m/z C 11H 19NO 6 [M+H] +, cacld. 262.27, found 262.40.
84%	With sodium hydroxide; In tetrahydrofuran; water; at 4℃; for 3.0h;	To a solution of 3, 3'-azanediyldipropanoic acid (10.00 g, 62.08 mmol) in 1.0 M NaOH (300 ml) at 4 was added di-tert-butyl dicarbonate (22.10 g, 101.3 mmol) in 200 ml THF in 1 h. After addition, the mixture was kept to stirring for 2 h at 4 . The mixture was carefully acidified to pH 4 with 0.2 M H 3PO 4, concentrated in vacuo, extracted with CH2Cl2, dried over Na2SO4, evaporated and purified with flash SiO2 chromatography eluted with AcOH/MeOH/CH 2Cl 2 (0.01: 1: 5) to afford 3, 3'- ( (tert-butoxycarbonyl) azanediyl) dipropanoic acid (13.62 g, 84%yield) . ESI MS m/z C 11H 19NO 6 [M+H] +, cacld. 262.27, found 262.40. [0361] To a solution of 3, 3'- ( (tert-butoxycarbonyl) azanediyl) dipropanoic acid (8.0 g, 30.6 mmol) in CH 2Cl 2 (500 ml) at 0 was added phosphorus pentoxide (8.70 g, 61.30 mmol) . The mixture was stirred at 0 for 2 h and then r.t. for 1 h, filtered through short SiO 2 column, and rinsed the column with EtOAc/CH 2Cl 2 (1: 6) . The filtrate was concentrated and triturated with EtOAc/hexane to afford the title compound (5.64 g, 74%yield) . ESI MS m/z C 11H 17NO 5 [M+H] +, cacld. 244.11, found 244.30.
84%	With sodium hydroxide; In tetrahydrofuran; water; at 4℃; for 3.0h;	To a solution of 3,3'-iminodipropionic acid (10.00g, 62.08mmol) in 1.0N NaOH (300mL) at 4 C, di-tert-butyl dicarbonate (22.10g, 101.3mmol) in tetrahydrofuran ( 200 mL) solution.After 1 hour of addition, the mixture was stirred at 4 C for 2 hours. The mixture was carefully acidified to pH 4 with 0.2M H3PO4,Concentrated under reduced pressure,Extracted with dichloromethane,Dried over sodium sulfate, filtered,After concentration, it was purified by silica gel column.Eluted with AcOH / MeOH / CH2Cl2 (0.01: 1: 5),3,3 '-((tert-butoxycarbonyl) imino) dipropionic acid was obtained (13.62 g, yield 84%).

84%	With sodium hydroxide; In tetrahydrofuran; at 4℃; for 3.0h;	At 4C, to 3,3'-iminodipropionic acid (10.00g, 62.08mmol) in 1.0N NaOH (300ml) solution was added di-tert-butyl dicarbonate (22.10g, 101.3mmol) in 200ml THF solution. After 1 hour of addition, the mixture was stirred at 4 C for 2 hours. The mixture was carefully acidified to pH-4 with 0.2M H3PO4, concentrated in vacuo, extracted with methane, dried over sodium sulfate, concentrated and purified with a silica gel column.It was eluted with AcOH/MeOH/CH2Cl2 (0.01:1:5) to obtain 3,3'-((tert-butoxycarbonyl)imino)dipropionic acid (13.62g, yield 84%).
79%	With sodium hydrogencarbonate; In methanol; at 20℃; for 72.0h;	A mixture of 3,3'-iminodipropionic acid (2.79 g, 17.3 mmol), di-tert-butyl dicarbonate (3.78 g, 17.3 mmol), sodium bicarbonate (2.91 g, 34.6 mmol) in methanol (80 mL) was stirred at room temperature for 3 days. The solvent was removed under reduced pressure. Water (60 mL) was added to the residue, and the resulting solution was washed with diethyl ether (100 mL). The aqueous solution was adjusted to pH 3 with 2 N HCl. The acidic solution was extracted with ethyl acetate (100 mL × 2). The combined organic phases were dried with anhydrous magnesium sulfate, and the solvent was removed under reduced pressure to yield 4 as colorless oil (3.57 g, 79%). 1H NMR (400 MHz, CDCl3) δ 3.53 (t, J = 6.3 Hz, 4H), 2.73 - 2.46 (m, 4H), 1.45 (s, 9H). MS (ESI) calculated for C11H11NO6 261.1, found [M + Na]+ 284.4.

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CAS No.: 505-47-5

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CAS No.: 505-47-5

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Code	Phrase
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Prevention
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