CAS 832740-91-7

1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluoro-1,3-butanedione

Description:

1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluoro-1,3-butanedione, with CAS number 832740-91-7, is a synthetic organic compound characterized by its complex structure featuring a phenyl ring substituted with a difluoromethoxy group and a trifluoromethylated diketone moiety. This compound typically exhibits a high degree of lipophilicity due to the presence of multiple fluorine atoms, which can influence its solubility and reactivity. The trifluorobutanedione part of the molecule contributes to its potential as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The difluoromethoxy group can enhance the compound's biological activity and stability. Additionally, the presence of multiple electronegative fluorine atoms can affect the compound's electronic properties, making it an interesting candidate for studies in medicinal chemistry and materials science. Its unique characteristics may also lead to specific interactions with biological targets, warranting further investigation into its potential applications.

Formula: C₁₁H₇F₅O₃

InChI: InChI=1S/C11H7F5O3/c12-10(13)19-7-3-1-6(2-4-7)8(17)5-9(18)11(14,15)16/h1-4,10H,5H2

InChI key: InChIKey=RHAPIMJKOZCWSY-UHFFFAOYSA-N

SMILES: C(CC(C(F)(F)F)=O)(=O)C1=CC=C(OC(F)F)C=C1

Synonyms:

• 1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluoro-1,3-butanedione
• 1,3-Butanedione, 1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluoro-

1-(4-Difluoromethoxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione

CAS: 832740-91-7

Formula: C₁₁H₇F₅O₃

Purity: 95%

Color and Shape: Solid

Molecular weight: 282.166

Ref: 10-F026067

1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluorobutane-1,3-dione

CAS: 832740-91-7

1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluorobutane-1,3-dione is a trichloroacetic acid derivative that has been used as a catalyst in acylation reactions. It is also a hydrogen bond donor and can be used to form amides from chloroformates. The structural analysis of 1-[4-(Difluoromethoxy)phenyl]-4,4,4-trifluorobutane-1,3-dione shows that it contains an intramolecular hydrogen bond between the carbonyl group and the amide nitrogen atom. This compound also has a kinetic isotope effect due to the presence of deuterium atoms. The NMR spectra of this compound show signals at δ 2.8 ppm and δ 3.5 ppm corresponding to the two protonated nitrogen atoms.

Formula: C₁₁H₇F₅O₃

Purity: Min. 95%

Molecular weight: 282.16 g/mol

Ref: 3D-HIB74091