13122-89-9|2-(2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-3-phenyl-propionic acid methyl ester| Ambeed

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CAS No. :	13122-89-9
Formula :	C₂₄H₃₀N₂O₅
M.W :	426.51
SMILES Code :	O=C(OC)C(NC(C(NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2

Yield	Reaction Conditions	Operation in experiment
98%	With water; sodium hydroxide; In methanol; at 25 - 30℃; for 1h;	To a solution of methyl 2-(2-((tert-butoxycarbonyl)amino)-3-phenylpropanamido)-3- phenyipropanoate (2.Og, 4.69mmol) in MeOH (20m1), NaOH (0.38g, 9.38mmol) in H20 (lOmI) was added at 25-30C. The reaction mixture was stirred for lh at 25-30C. After lh MeOH was evaporated & aqueous layer was acidified with citric acid solution, solid was obtained. Filter the solid & dried it to get the title compound as a white solid (1.89, 98% yield); ESI-MS: 413.2 (M+H).
2.3 g	With methanol; sodium hydroxide; at 20℃; for 3h;	(BOC)FF-OH (2): Compound 1(3.0 g, 7.0 mmol) was dissolved in methanol (30 ml) and 1(N) NaOH (10 ml) was added into the solution. The reaction mixture was stirred for 3 h at room temperature. Reaction mixture was concentrated to completely remove the methanol under reduced pressure. The residue was acidified with 1 N HCl (15 ml) and extracted in dichloromethane (3×25 ml). The combined organic layer was washed with water followed by brine (20 ml), dried over anhydrous sodium sulfate and concentrated under reduced pressure to form compound 2 (2.3 g, 5.5 mmol). mp=82-84 C, Rf [5% methanol in dichloromethane]=0.3, =-00.02 [c 0.12, methanol]. 1H NMR (400 MHz, CD3OD, TMS, delta ppm): 1.23 (s, 9H); 2.5-2.6 (m, 1H); 2.70-2.95 (m, 2H); 3.0-3.2 (m, 1H); 4.15-4.18 (m, 1H); 4.53-4.57 (m, 1H); 7.09-7.15 (m, 10H); FTIR (KBr, cm-1): 1520 (amide II); 1660 (amide I); FABMS (M+1): 413; Anal. Calcd for C23H28N2O5, C, 66.97; H, 6.84; N, 6.79; found, C, 67.11; H, 6.66; N, 6.12.

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P321
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
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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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H242	Heating may cause a fire
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H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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Health hazards
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H301	Toxic if swallowed
H302	Harmful if swallowed
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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.: 13122-89-9

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CAS No.: 13122-89-9

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