4-Pentenoic acid, 2,2-difluoro-, ethyl ester


Chemical Name: 4-Pentenoic acid, 2,2-difluoro-, ethyl ester
CAS Number: 110482-96-7
Product Number: AG0037ZT(AGN-PC-000930)
Synonyms:
MDL No: MFCD09763639
Molecular Formula: C7H10F2O2
Molecular Weight: 164.1499

Identification/Properties


Computed Properties
Molecular Weight:
164.152g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
164.065g/mol
Monoisotopic Mass:
164.065g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 2,2-difluoropent-4-enoate, a versatile compound in chemical synthesis, is commonly employed as a building block in organic chemistry reactions. Its unique structure, characterized by a fluorine-substituted double bond and an ethyl ester group, imparts specific properties that make it valuable in various synthetic processes.One key application of Ethyl 2,2-difluoropent-4-enoate is its use as a reactive intermediate in the modification of organic molecules. Its bifunctional nature allows for selective functionalization of the double bond or the ester moiety, enabling the introduction of diverse chemical groups into target molecules. This versatility makes it an essential component in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.Furthermore, Ethyl 2,2-difluoropent-4-enoate serves as a precursor in the preparation of fluorinated compounds. Fluorine-containing molecules exhibit unique properties that can enhance the biological activity or physicochemical characteristics of the final product. By incorporating this compound into synthetic routes, chemists can access a wide range of fluorinated analogs with potential applications in drug discovery and material science.Overall, Ethyl 2,2-difluoropent-4-enoate plays a vital role in the realm of chemical synthesis, offering a platform for the creation of structurally diverse and functionally rich compounds with varied applications in the fields of medicine, agriculture, and materials science. Its strategic use as a building block underscores its significance in designing molecular scaffolds with tailored properties for specific purposes.