ChemicalBook--->CAS DataBase List--->58885-60-2

58885-60-2

58885-60-2 Structure

58885-60-2 Structure
IdentificationBack Directory
[Name]

(3-OXO-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
[CAS]

58885-60-2
[Synonyms]

OTAVA-BB 1048237
3-(Boc-aMino)propanal
TERT-BUTYL (3-OXOPROPYL)CARBAMATE
ert-butylN-(3-oxopropyl)carbamate
3-TERT-BUTOXYCARBONYLAMINOPROPANAL
tert-butyl N-(3-oxopropyl)carbaMate
N-(3-Oxopropyl)carbamic acid tert-butyl ester
(3-OXO-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER
Carbamic acid, N-(3-oxopropyl)-, 1,1-dimethylethyl ester
[Molecular Formula]

C8H15NO3
[MDL Number]

MFCD08059952
[MOL File]

58885-60-2.mol
[Molecular Weight]

173.21
Chemical PropertiesBack Directory
[Boiling point ]

75-80 °C(Press: 0.1 Torr)
[density ]

1.017
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

12.29±0.46(Predicted)
[color ]

Clear Colourless to Pale Yellow
[InChI]

InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11)
[InChIKey]

MLDSDVASYUUDLT-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCCC=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[HS Code ]

2924297099
Hazard InformationBack Directory
[Uses]

(3-Oxopropyl)carbamic Acid tert-Butyl Ester is a reactant used to prepare pyrrolotriazine-4-one based Eg5 inhibitors. It is also used to synthesize 11-alkylideneindenoisoquinolines as topoisomerase I inhibitors.
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