(S)-N-Boc-3-aminobutyric acid
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(S)-N-Boc-3-aminobutyric acid
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CAS No:
158851-30-0
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Formula:
C9H17NO4
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Chemical Name:
(S)-N-Boc-3-aminobutyric acid
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Synonyms:
BOC-ALA-(C*CH2)OH;BOC-BETA-HOALA-OH;BOC-BETA-HOMOALA-OH;BOC-L-BETA-HOMOALANINE;BOC PROTECTED (S)-B-AMINOBUTYRIC ACID;(S)-BOC-B2-HOALA-OH;(S)-BOC-BETA2-HAL-OH;(S)-BOC-BETA2-HOMOALANINE
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CAS No:
(S)-N-Boc-3-aminobutyric acid Basic Attributes
203.24
203.115753
1312995-182-4
DTXSID70420711
2924199090
Characteristics
75.6
0.9
White to light yellow Powder
1.101±0.06 g/cm3(Predicted)
99 °C
339.5±25.0 °C(Predicted)
159.1±23.2 °C
1.461
Slightly soluble in water.
Store at 0-5°C
1.69E-05mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-24/25
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
(S)-N-Boc-3-aminobutyric acid Use and Manufacturing
Under an Ar atmosphere, a solution of NaH2PO4 (7.0 g) and 34.5percent H2O2 aq. (20 mL) was added to a solution of aldehyde (S-9) (7.3 g, 39.0 mmol) in acetonitrile (50 mL) at 0°C, and the mixture was stirred for 10 min. A solution of NaClO2 (6.0 g) in H2O (20 mL) was added to the reaction mixture, and the mixture was stirred for 1 h at the same temperature. The reaction was quenched with satd. NaHCO3 aq., and the mixture was washed with CH2Cl2. The aqueous layer was acidfied with 10percent HCl, extracted with CH2Cl2, dried over MgSO4, filtered, and concentrated in vacuo. The residue was identified as the carboxylic acid (8) (6.0 g, 29.6 mmol, 76percent) by 1H-NMR, and used for next reaction without further purification.
Computed Properties
Molecular Weight:203.24
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:203.11575802
Monoisotopic Mass:203.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:14
Complexity:219
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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