Propanedioic acid, dimethyl-, diethyl ester


Chemical Name: Propanedioic acid, dimethyl-, diethyl ester
CAS Number: 1619-62-1
Product Number: AG003PGJ(AGN-PC-0JKC9F)
Synonyms:
MDL No:
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
MP:
-30.4°C
BP:
197°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.412(lit.)
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
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

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NMR Spectrum


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Chemical Structure



Diethyl 2,2-dimethylmalonate is a versatile compound widely used in organic synthesis as a key building block in the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. In chemical synthesis, this compound serves as an important precursor for the synthesis of complex organic molecules due to its unique structural properties and reactivity.One of the primary applications of Diethyl 2,2-dimethylmalonate is its role as a valuable starting material for the synthesis of substituted malonic acid derivatives. Through sequential reactions such as alkylation, esterification, and decarboxylation, this compound can be modified to introduce diverse functional groups, enabling the synthesis of a wide range of structurally complex molecules.Furthermore, Diethyl 2,2-dimethylmalonate is frequently employed in the preparation of biologically active compounds, including pharmaceuticals and natural product derivatives. Its flexible reactivity allows for the selective incorporation of specific functional groups or stereochemical motifs, making it an indispensable building block in the pharmaceutical industry for the development of new drug candidates.Overall, the strategic use of Diethyl 2,2-dimethylmalonate in chemical synthesis enables chemists to access diverse molecular architectures efficiently and serves as a critical tool in the construction of complex organic molecules with desired biological activities.