CAS 54419-23-7

1-Propanone, 1-(phenyl-d5)-

Description:

1-Propanone, 1-(phenyl-d5)-, also known as deuterated acetophenone, is an organic compound characterized by its ketone functional group. It features a propanone backbone with a phenyl group that is fully deuterated, meaning that all hydrogen atoms on the phenyl ring are replaced with deuterium, a stable isotope of hydrogen. This substitution alters the physical properties of the compound, such as its mass and vibrational frequencies, making it useful in various applications, particularly in NMR spectroscopy for studying molecular structures and dynamics. The compound is typically a colorless liquid with a sweet, aromatic odor, and it is soluble in organic solvents. Its chemical behavior is similar to that of non-deuterated acetophenone, participating in typical ketone reactions, including nucleophilic addition and oxidation. The presence of deuterium can also influence reaction kinetics and mechanisms, making it a valuable tool in mechanistic studies. As with many organic compounds, proper handling and storage are essential to ensure safety and stability.

Formula: C₉H₅D₅O

InChI: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i3D,4D,5D,6D,7D

InChI key: InChIKey=KRIOVPPHQSLHCZ-DKFMXDSJSA-N

SMILES: C(CC)(=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]

Synonyms:

• 1-Propanone, 1-(phenyl-d₅)-
• Propiophenone (Ring-D5)
• Propiophenone-2',3',4',5',6'-D5
• Propiophenone-d5 (ring-D5)
• 1-Propanone, 1-(phenyl-d5)-

Propiophenone-2',3',4',5',6'-d5

CAS: 54419-23-7

Formula: C₆D₅COCH₂CH₃

Purity: 98 atom % D

Color and Shape: Colorless To Yellow Liquid

Molecular weight: 139.10455

Ref: 3U-D1815

Propiophenone-d5

Controlled Product

CAS: 54419-23-7

Applications Propiophenone-d5 is the labeled analogue of Propiophenone (P827900), an aryl ketone used in the preparation of pharmaceutical and organic compounds. Propiophenone is used in perfumes as well as in the preparation of neurochemical compounds such as ephedrines.
References Edkins, R.P. et al.: Quart. J. Pharm. Pharmacol., 9, 203 (1936); Sun, T.-Q. et al.: Zhong. Yiy. Gong. Zaz., 31, 534 (2000); Cherkaoui, H. et al.: Tetrahedron, 57, 2379 (2001)

Formula: C₉D₅H₅O

Color and Shape: Neat

Molecular weight: 139.21

Ref: TR-P827902

Propiophenone-d5

Controlled Product

CAS: 54419-23-7

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Formula: C₉H₁₀O

Purity: Min. 95%

Molecular weight: 139.21 g/mol

Ref: 3D-ECA41923