1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate
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1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate
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CAS No:
69610-41-9
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Formula:
C10H17NO3
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Chemical Name:
1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate
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Synonyms:
1-Pyrrolidinecarboxylic acid,2-formyl-,1,1-dimethylethyl ester,(2S)-;1-Pyrrolidinecarboxylic acid,2-formyl-,1,1-dimethylethyl ester,(S)-;1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate;N-tert-Butoxycarbonyl-(S)-prolinal;tert-Butoxycarbonyl-L-prolinal;N-(tert-Butoxycarbonyl)prolinal;N-(tert-Butoxycarbonyl)-L-prolinal;N-(tert-Butyloxycarbonyl)-(S)-prolinal;(S)-1-tert-Butoxycarbonylpyrrolidine-2-carboxaldehyde;Boc-prolinal;N-Boc-L-prolinal;tert-Butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-Butyl (2S)-2-formyl-1-pyrrolidinecarboxylate;(S)-2-Formylpyrrolidine-1-carboxylic acid tert-butyl ester;(S)-1-Boc-2-formylpyrrolidine;Boc-L-prolinal;tert-Butyl (S)-2-formylpyrrolidine-1-carboxylate;(S)-tert-Butyl 2-formylpyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid 2-formyl-,1,1-dimethylethyl ester (2S)-;2376619-64-4
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CAS No:
1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate Basic Attributes
199.25
199.25
1592732-453-0
DTXSID20370439
2933990090
Characteristics
46.6
1.2
clear light yellow viscous liquid
1.1±0.1 g/cm3
165 °C @ Press: 0.6 Torr
135 °F
1.528
Slightly soluble water. soluble in chloroform.
Store at 0-5°C
-101 º (c=0.66 in chloroform)
Safety Information
Ⅲ
IRRITANT
1989
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (86.36%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate Use and Manufacturing
Key building block for norsecurinine-type alkaloids and isaindigotidione carboskeleton.1,2
Computed Properties
Molecular Weight:199.25
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:199.12084340
Monoisotopic Mass:199.12084340
Topological Polar Surface Area:46.6
Heavy Atom Count:14
Complexity:232
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate
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