Benzenepropanoic acid, 3,4-dimethoxy-, ethyl ester


Chemical Name: Benzenepropanoic acid, 3,4-dimethoxy-, ethyl ester
CAS Number: 5462-13-5
Product Number: AG00DFVF(AGN-PC-0JNBWF)
Synonyms:
MDL No:
Molecular Formula: C13H18O4
Molecular Weight: 238.2796

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
238.283g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
238.121g/mol
Monoisotopic Mass:
238.121g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
230
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 3-(3,4-dimethoxyphenyl)propionate has a versatile range of applications in chemical synthesis. This compound is commonly utilized as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique chemical structure allows for strategic functional group transformations, making it a valuable building block for creating complex organic molecules. In particular, Ethyl 3-(3,4-dimethoxyphenyl)propionate can be used in the synthesis of compounds with biological activity, such as potential drug candidates or novel materials. Additionally, its reactivity and compatibility with different reaction conditions make it a valuable tool for organic chemists seeking to construct diverse molecular architectures. Whether in the laboratory or industrial setting, the application of Ethyl 3-(3,4-dimethoxyphenyl)propionate offers opportunities for innovation and advancement in chemical synthesis.