1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
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1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
structure -
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CAS No:
61478-26-0
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Formula:
C10H19NO4
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Chemical Name:
1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
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Synonyms:
1-Pyrrolidinecarboxylic acid,4-hydroxy-2-(hydroxymethyl)-,1,1-dimethylethyl ester,(2S,4R)-;1-Pyrrolidinecarboxylic acid,4-hydroxy-2-(hydroxymethyl)-,1,1-dimethylethyl ester,(2S-trans)-;1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate;tert-Butyl (2S,4R)-4-hydroxy-2-hydroxymethylpyrrolidine-1-carboxylate;tert-Butyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;N-Boc-trans-4-hydroxy-L-prolinol;(2S,4R)-tert-Butyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
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CAS No:
1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate Basic Attributes
217.26
217.26
DTXSID20460900
2933990090
Characteristics
70
0
1.2±0.1 g/cm3
53-55 °C
340.3°C at 760 mmHg
159.6±23.7 °C
1.511
-47o (C=1 IN CHLOROFORM)
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37
Xi
|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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate Use and Manufacturing
A useful reactant used in the preparation of 4-purinylpyrrolidine nucleosides, kinase inhibitors and antibacterial agents.
Computed Properties
Molecular Weight:217.26
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:217.13140809
Monoisotopic Mass:217.13140809
Topological Polar Surface Area:70
Heavy Atom Count:15
Complexity:236
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate
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