Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino]oxo-, ethyl ester


Chemical Name: Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino]oxo-, ethyl ester
CAS Number: 216959-34-1
Product Number: AG0039MX(AGN-PC-0KK65Y)
Synonyms:
MDL No:
Molecular Formula: C9H15NO5
Molecular Weight: 217.2191

Identification/Properties


Computed Properties
Molecular Weight:
217.221g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
217.095g/mol
Monoisotopic Mass:
217.095g/mol
Topological Polar Surface Area:
81.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
266
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2-((tert-butoxycarbonyl)amino)-2-oxoacetate is a versatile compound widely utilized in chemical synthesis as a key intermediate for the preparation of various pharmaceuticals and fine chemicals. Its application in organic synthesis lies in its ability to serve as a crucial building block for the synthesis of complex molecules due to its unique structural properties. The tert-butoxycarbonyl (Boc) protecting group on the amino function of this molecule provides stability during multiple synthetic steps while allowing for selective deprotection under specific conditions. By incorporating Ethyl 2-((tert-butoxycarbonyl)amino)-2-oxoacetate into chemical reactions, chemists can efficiently access a diverse range of compounds with tailored functionalities, making it an indispensable tool in the realm of synthetic organic chemistry.