Pentanoic acid, 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxo-, methylester


Chemical Name: Pentanoic acid, 2-[(4-fluorophenyl)methylene]-4-methyl-3-oxo-, methylester
CAS Number: 122549-26-2
Product Number: AG0017GB(AGN-PC-0PGDDT)
Synonyms:
MDL No:
Molecular Formula: C14H15FO3
Molecular Weight: 250.2655

Identification/Properties


Computed Properties
Molecular Weight:
250.269g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
250.101g/mol
Monoisotopic Mass:
250.101g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
339
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



4-Carboxymethyl-5-(4-fluorophenyl)-2-methyl-pent-4-en-3-one is a versatile compound that finds wide application in chemical synthesis processes. This compound is commonly used as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty organic compounds.In chemical synthesis, 4-Carboxymethyl-5-(4-fluorophenyl)-2-methyl-pent-4-en-3-one serves as a valuable building block for the creation of complex molecules due to its unique structure and reactivity. Its carboxymethyl group can undergo various chemical transformations, including esterification, amidation, and condensation reactions, allowing for the introduction of functional groups at different positions in the molecule.Furthermore, the presence of the fluorophenyl group in the compound enables the synthesis of compounds with specific fluorescent or aromatic properties, making it suitable for the development of imaging agents, fluorescent dyes, and other specialized chemical products. The 2-methyl-pent-4-en-3-one moiety provides additional versatility by offering the potential for further modification through enolate chemistry or functional group manipulations.Overall, the strategic placement of functional groups in 4-Carboxymethyl-5-(4-fluorophenyl)-2-methyl-pent-4-en-3-one makes it a valuable tool for chemists involved in the design and synthesis of advanced organic molecules with diverse applications in the fields of medicine, agriculture, and materials science.