N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID
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N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID
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CAS No:
102507-13-1
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Formula:
C10H19NO5
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Chemical Name:
N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID
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Synonyms:
(S)-N-ALPHA-T-BUTYLOXYCARBONYL-3,3-DIMETHYL-SERINE;(S)-2-BOC-AMINO-3-HYDROXY-3-METHYLBUTYRIC ACID;N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID;BOC-S-SER(3,3ME2)-OH;BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID;BOC-L-SER(3,3-DIMETHYL);(S)-2-N-BOC-AMINO-3-HYDROXY-3-METHYLBUTYRIC ACID;(S)-Boc-beta,beta-dimethyl-serine
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CAS No:
N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID Basic Attributes
233.26
233.126328
DTXSID70454339
29225090
Characteristics
95.9
0.5
1.175±0.06 g/cm3(Predicted)
116-118℃
391.1±37.0 °C(Predicted)
190.3±26.5 °C
1.483
Safety Information
IRRITANT
36/37/38
26-36/37/39
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID Use and Manufacturing
2, 2, 6, 6-Tetramethylpiperidine 1-oxyl (TEMPO, 2.3 g, 15 mmol) was added to a mixture of compound 1_5_4 (33.0 g, 150 mmol) in acetonitrile (750 mL) and sodium phosphate buffer (600 mL, 0.7 M solution, pH 6-7) and the resulting mixture was heated to 35°C. The mixture was then treated by a simultaneous addition of a sodium chlorite solution (34.2 g in 150 mL of water) and 60 drops of a very dilute sodium hypochlorite solution (3 mL of commercial solution in 100 mL of water). The mixture was stirred at 35°C overnight, cooled to room temperature, treated with citric acid (-15 g, pH 3), saturated with sodium chloride and extracted with ethyl acetate (3 x 2 L). The organic extracts were combined and concentrated under reduced pressure. The residue was dissolved in 1.5 L of a 2 M sodium carbonate solution and washed with ethyl acetate (2 x 2 L). The aqueous layer was cooled to 0°C, the pH was adjusted to 3.0 using a 2 M solution of H
Computed Properties
Molecular Weight:233.26
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:233.12632271
Monoisotopic Mass:233.12632271
Topological Polar Surface Area:95.9
Heavy Atom Count:16
Complexity:279
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-BOC-(S)-2-AMINO-3-HYDROXY-3-METHYLBUTANOIC ACID
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