ChemicalBook--->CAS DataBase List--->78553-51-2

78553-51-2

78553-51-2 Structure

78553-51-2 Structure
IdentificationBack Directory
[Name]

CBZ-ALPHA-ALLYL-L-GLY
[CAS]

78553-51-2
[Synonyms]

Z-ALGLY-OH
A-(ALLYL)GLY-OH
Z-(ALLYL)GLY-OH
Z-L-Allylglycine
L-CBZ-ALLYLGLYCINE
Cbz-S-Allylglycine
Cbz-L-Allylglycine
RARECHEM AL CF 0941
CBZ-ALPHA-ALLYL-L-GLY
(S)-2-CBZ-AMINO-4-PENTENOIC ACID
CBZ-(S)-2-AMINO-4-PENTENOIC ACID
N-α-Carbobenzoxy-L-α-allylglycine
(S)-N-CBZ-2-(AMINO)PENT-4-ENOIC ACID
N-ALPHA-CARBOBENZOXY-L-ALPHA-ALLYL-GLYCINE
(2S)-2-{[(Benzyloxy)carbonyl]amino}-4-pentenoic acid
(2S)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid
(2S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
(2S)-2-[[(phenylmethoxy)carbonyl]amino]-4-Pentenoic acid
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
[Molecular Formula]

C13H15NO4
[MDL Number]

MFCD02094548
[MOL File]

78553-51-2.mol
[Molecular Weight]

249.26
Chemical PropertiesBack Directory
[Melting point ]

240-245 °C (decomp)
[Boiling point ]

444.967±45.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.203±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

3.816±0.10(predicted)
[color ]

White to off-white
[Optical Rotation]

Consistent with structure
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

(2S)-2-[[(phenylmethoxy)carbonyl]amino]-4-Pentenoic acid is a useful building block, and has been used in the regioselective preparation of nonracemic silylated amino acids.
[Synthesis]

N-(Benzyloxycarbonyloxy)succinimide

13139-17-8

L-Allylglycine

16338-48-0

CBZ-ALPHA-ALLYL-L-GLY

78553-51-2

(S)-(-)-2-Amino-4-pentenoic acid (2.0 g) was suspended in dioxane (80 mL) at room temperature and triethylamine (4.3 g), water (2.0 mL) and N-(phenylmethoxycarbonyloxy)succinimide (9.1 g) were added sequentially. The reaction mixture was stirred overnight at room temperature and then concentrated under vacuum. Subsequently, the reaction mixture was diluted with saturated NaHCO3 solution and extracted with ether (3 x 80 mL). The basic aqueous layer was acidified to pH 2 with 2N HCl and extracted with EtOAc (3 x 80 mL). The EtOAc layers were combined, washed with brine, dried over anhydrous Na2SO4, filtered and the solvent evaporated. Finally, a viscous oily product (4.41 g, quantitative yield) was obtained by concentration from toluene (2 × 20 mL). The product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 2.31-2.50 (m, 2H), 4.00-4.06 (m, 1H), 5.03 (s, 2H), 5.05-5.12 (m, 2H), 5.71-5.84 (m, 1H), 7.35 (m, 5H), 7.53 (d, 1H), 12.57 (bs, 1H). Mass spectrometry analysis (APCI) showed m/z = 250 ([M+H]+).LC/MS analysis (Method A) showed a retention time of 2.30 min.

[References]

[1] Patent: WO2004/80983, 2004, A1. Location in patent: Page 47
[2] Tetrahedron, 2013, vol. 69, # 30, p. 6275 - 6284
[3] Organic Letters, 2006, vol. 8, # 2, p. 239 - 242
[4] Patent: WO2011/15241, 2011, A1. Location in patent: Page/Page column 187; 398
[5] Patent: US2012/270881, 2012, A1. Location in patent: Page/Page column 116
Spectrum DetailBack Directory
[Spectrum Detail]

CBZ-ALPHA-ALLYL-L-GLY(78553-51-2)1HNMR
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