1-(2H5)Phenyl-1-butanone

Modify Date: 2024-01-09 16:48:48

1-(2H5)Phenyl-1-butanone Structure
1-(2H5)Phenyl-1-butanone structure
Common Name 1-(2H5)Phenyl-1-butanone
CAS Number 39058-44-1 Molecular Weight 153.232
Density 1.0±0.1 g/cm3 Boiling Point 228.5±0.0 °C at 760 mmHg
Molecular Formula C10H7D5O Melting Point N/A
MSDS N/A Flash Point 88.9±0.0 °C

 Use of 1-(2H5)Phenyl-1-butanone


1-Phenylbutan-1-one-d5 is the deuterium labeled 1-Phenylbutan-1-one[1].

 Names

Name butyrophenone-2',3',4',5',6'-d5
Synonym More Synonyms

 1-(2H5)Phenyl-1-butanone Biological Activity

Description 1-Phenylbutan-1-one-d5 is the deuterium labeled 1-Phenylbutan-1-one[1].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 228.5±0.0 °C at 760 mmHg
Molecular Formula C10H7D5O
Molecular Weight 153.232
Flash Point 88.9±0.0 °C
Exact Mass 153.120193
PSA 17.07000
LogP 2.73
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.503
Storage condition 2-8°C

 Synthetic Route

~79%

1-(2H5)Phenyl-1-butanone Structure

1-(2H5)Phenyl-1...

CAS#:39058-44-1

Literature: Neubert, Mary E. Molecular Crystals and Liquid Crystals (1969-1991), 1985 , vol. 129, p. 327 - 374

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1-(2H5)Phenyl-1-butanone Structure

1-(2H5)Phenyl-1...

CAS#:39058-44-1

Literature: Stringer, Michael B.; Underwood, Dennis J.; Bowie, John H.; Holmes, John L.; Mommers, Alexander A.; Szulejko, Jan E. Canadian Journal of Chemistry, 1986 , vol. 64, p. 764 - 768

 Synonyms

butyrophenone tosylhydrazone
n-butyrophenone tosylhydrazone
1-(H)Phenyl-1-butanone
1-Phenyl-butanon-tosylhydrazon
n-butyrophenone-d5
1-(H)Phenylbutan-1-one
1-Butanone, 1-(phenyl-d)-
1-Phenylbutanone-tosylhydrazone