N-tert-Butoxycarbonyl-L-aspartic acid
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N-tert-Butoxycarbonyl-L-aspartic acid
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CAS No:
13726-67-5
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Formula:
C9H15NO6
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Chemical Name:
N-tert-Butoxycarbonyl-L-aspartic acid
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Synonyms:
L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-;Aspartic acid,N-carboxy-,N-tert-butyl ester,L-;Aspartic acid,N-carboxy-,N-tert-butyl ester;N-[(1,1-Dimethylethoxy)carbonyl]-L-aspartic acid;Nα-(tert-Butyloxycarbonyl)aspartic acid;N-tert-Butoxycarbonyl-L-aspartic acid;N-(tert-Butoxycarbonyl)aspartic acid;N-tert-Butyloxycarbonyl-L-aspartic acid;N-Boc-L-aspartic acid;NSC 186910;Boc-L-aspartic acid;(2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]butanedioic acid;(2S)-2-[[(tert-Butoxy)carbonyl]amino]butanedioic acid
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CAS No:
Characteristics
113
0.1
White to off-white Crystalline Powder
1.3397 (rough estimate)
175-176 °C
375.46°C (rough estimate)
322.3±31.5 °C
1.4640 (estimate)
Store at RT.
9.72E-07mmHg at 25°C
-6 º (c=1, MeOH)
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
26-36-24/25
Xn
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
N-tert-Butoxycarbonyl-L-aspartic acid Use and Manufacturing
In a 500 mL one-neck round bottom flask, aspartic acid (Asp, 4 g, 30 mmol), 1, 4-Dioxane (120 mL) and HL-aspartic acid (10 g, 0.075 mol) and sodium hydroxide (6.0 g, 0.15 mol) are dissolved in distilled water (100 mL). The solution is cooled in ice bath to 0°C and dioxane (100 mL) was added. (Boc)General procedure: L-Phenylalanine (1.0 g, 6.05 mmol) and sodium carbonate (0.71 g, 6.70 mmol) in water (10 mL) was reacted with a solution of 2 (1.89 g, 6.36 mmol) in acetone (10 mL). The reaction mixture was stirred at room temperature till the reaction completes, as monitored by TLC. The resulting solution was concentrated, to the residue was added water (10 mL) and ethyl acetate (10 mL), pH adjusted to 6.0 with 10percent KHSOEXAMPLE 28
Computed Properties
Molecular Weight:233.22
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:233.08993720
Monoisotopic Mass:233.08993720
Topological Polar Surface Area:113
Heavy Atom Count:16
Complexity:293
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-tert-Butoxycarbonyl-L-aspartic acid
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