Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

Product Name	(S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acid
IUPAC Name	(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid
Molecular Structure
CAS Registry Number	40371-50-4
MDL Number	MFCD00209957
Synonyms	S-4-benzyloxycarbonylamino-2-hydroxybutyric acid, (S)-4-benzyloxycarbonylamino-2-hydroxybutyric acid, γ-benzyloxycarbonylamino-α-hydroxybutyric acid, acide (S)-benzyloxycarbonylamino-4 hydroxy-2 butanoique, (benzyloxy-(S)-4-carbonylamino)-2-hydroxybutanoic acid, (S)-N-benzyloxycarbonyl-4-amino-2-hydroxybutyric acid, (2S)-4-benzyloxycarbonylamino-2-hydroxybutanoic acid
Molecular Formula	C12H15NO5
Molecular Weight	253.255
InChI	InChI=1S/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChI Key	ULKOBRDRCYROKY-JTQLQIEISA-N
Canonical SMILES	C1=CC=C(C=C1)COC(=O)NCCC(C(=O)O)O
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)NCC[C@@H](C(=O)O)O

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Physical Data

Appearance	White or white crystalline powder
Boiling Point	419.199°C
Flash Point	207.324°C
Density	1.73 g/cm3 at 20°C (68°F)
Partition Coefficient: Noctanol/Water	log Pow: < -1.429 at 20°C (68°F)
Decomposition Temperature	250°C (482°F) min
Stability	Light sensitive, very Hygroscopic

Melting Point, °C	Solvent (Melting Point)
72	ethyl acetate, light petroleum
78.5 – 79.5	benzene

Type (Optical Rotatory Power)	Concentration (Optical Rotatory Power)	Solvent (Optical Rotatory Power)	Optical Rotatory Power, deg	Wavelength (Optical Rotatory Power), nm	Temperature (Optical Rotatory Power), °C
[alpha]			-61	589	25
[alpha]	4.6 g/100ml	CHCl3	4.9	589	25
[alpha]	2.0	methanol	-4.5	589	22
[alpha]	1 g/100ml	CHCl3	5.7	589	25
[alpha]	1 g/100ml	CHCl3	25.6	365	25
[alpha]	2 g/100ml	methanol	-4.5	589	22

Patent Information
Patent ID	Title	Publication Date
US2013/165397	TREATMENT OF BACTERIAL INFECTIOUS DISEASES	2013
US4212860	4-O-(2,3,5-Trideoxy-5-amino-α-D-pentofuranosyl)-6-O-aminoglycosyl-1,3-diaminocyclitois, methods for their preparation, pharmaceutical formulations thereof and their use as antibacterial agents	1980

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Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Temperature (NMR Spectroscopy), °C	Frequency (NMR Spectroscopy), MHz
Chemical shifts	1H	dimethylsulfoxide-d6		500
Chemical shifts	13C	dimethylsulfoxide-d6		125
Chemical shifts, Spectrum	1H	chloroform-d1	25	400
Chemical shifts, Spectrum	13C	chloroform-d1	25	100

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Route of Synthesis (ROS)

Conditions	Yield
With sodium carbonate In acetone at 0 – 5℃	89%
With sodium hydroxide In water for 3h Cooling with ice	78%
With sodium hydroxide

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Safety and Hazards

Pictogram(s)
Signal	Warning
GHS Hazard Statements	H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

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Other Data

Transportation	Not dangerous goods
	Under the room temperature and away from light
HS Code	294200
Storage	Under the room temperature and away from light
Market Price	USD 540/kg

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