1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
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1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
structure -
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CAS No:
53100-44-0
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Formula:
C10H15NO5
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Chemical Name:
1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
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Synonyms:
1,2-Pyrrolidinedicarboxylic acid,5-oxo-,1-(1,1-dimethylethyl) ester,(2S)-;1,2-Pyrrolidinedicarboxylic acid,5-oxo-,1-(1,1-dimethylethyl) ester,(S)-;1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate;N-tert-Butoxycarbonyl-L-pyroglutamic acid;N-Boc-L-pyroglutamic acid;(S)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid;(2S)-1-[(tert-Butoxy)carbonyl]-5-oxopyrrolidine-2-carboxylic acid;(2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
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CAS No:
1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate Basic Attributes
229.23
229.23
258-362-2
2933790090
Characteristics
83.9
0.6
1.3±0.1 g/cm3
65-67 °C
425.8°C at 760 mmHg
211.3±26.8 °C
1.516
Store at RT.
Safety Information
NONH for all modes of transport
3
36/37/38
26-36/37
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate Use and Manufacturing
To a solution of 4-aminobenzyl alcohol (62 g, 504 mmol) and N-(tert- butoxycarbonyl)-L-pyroglutamic acid (1 16 g, 504 mmol) in anhydrous dioxane (500 ml) was added N-ethoxycarbonyl-2-ethoxy-1 , 2-dihydroquinoline (130 g, 526 mmol) and the reaction mixture was stirred for 12 hours at room temperature. To complete precipitation the reaction mixture was cooled to 10C. Compound 10 (1 14 g, 68 %, 340 mmol) was collected by suction, washed with cold dioxane and dried in vacuum. 1H NMR (400 MHz, DMSO-d6) delta ppm 1 .34 (s, 9 H) 1 .83 - 1 .94 (m, 1 H) 2.23 - 2.26 (m, 1 H) 2.37 - 2.48 (m, 2 H) 4.42 (s, 2 H) 4.63 (dd, J=8.99, 3.61 Hz, 1 H) 5.10 (bt, 1 H) 7.25 (d, J=8.56 Hz, 2 H) 7.53 (d, J=8.44 Hz, 2 H) 10.23 (s, J=4.76 Hz, 1 H).
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-: INACTIVE
Computed Properties
Molecular Weight:229.23
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:229.09502258
Monoisotopic Mass:229.09502258
Topological Polar Surface Area:83.9
Heavy Atom Count:16
Complexity:331
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
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