Propanedioic acid, [[(1,1-dimethylethoxy)carbonyl]amino]-, diethyl ester


Chemical Name: Propanedioic acid, [[(1,1-dimethylethoxy)carbonyl]amino]-, diethyl ester
CAS Number: 102831-44-7
Product Number: AG0034PV(AGN-PC-0JPXRP)
Synonyms:
MDL No:
Molecular Formula: C12H21NO6
Molecular Weight: 275.2982

Identification/Properties


Properties
BP:
218°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.438(lit.)
Computed Properties
Molecular Weight:
275.301g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
9
Exact Mass:
275.137g/mol
Monoisotopic Mass:
275.137g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
316
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Diethyl (Boc-amino)malonate is an essential reagent in chemical synthesis due to its versatile applications. This compound serves as a key building block for the preparation of various biologically active molecules, pharmaceuticals, and organic compounds.In the realm of chemical synthesis, Diethyl (Boc-amino)malonate is particularly valued for its role in the formation of amide bonds. By utilizing the Boc (tert-butoxycarbonyl) protecting group, this compound enables precise control over the regioselectivity and stereochemistry of the resulting amide products. The Boc group also facilitates purification and isolation processes during synthesis.Moreover, Diethyl (Boc-amino)malonate can participate in a range of reactions, including amidation, esterification, and alkylation. Its compatibility with various functional groups and reaction conditions makes it a versatile tool for the synthesis of complex organic molecules. Researchers and chemists rely on this compound to streamline the preparation of diverse chemical entities with tailored structures and properties.