61973-42-0

61973-42-0 structure
61973-42-0 structure
  • Name: Ethyl acetoacetate-13c
  • Chemical Name: Ethyl acetoacetate-3-13C
  • CAS Number: 61973-42-0
  • Molecular Formula: C6H10O3
  • Molecular Weight: 131.13400
  • Catalog: Signaling Pathways Anti-infection Bacterial
  • Create Date: 2016-04-25 08:52:28
  • Modify Date: 2024-01-05 12:58:08
  • Ethyl acetoacetate-13C is the 13C labeled Ethyl acetoacetate[1]. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[2][3][4]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[5].

Name Ethyl acetoacetate-3-13C
Synonyms MFCD00083953
Description Ethyl acetoacetate-13C is the 13C labeled Ethyl acetoacetate[1]. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[2][3][4]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[5].
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.  

[2]. Rao M.Uppu, et al. Enantioselective catalytic asymmetric hydrogenation of ethyl acetoacetate in room temperature ionic liquids. Biochemical and Biophysical Research Communications. 1996 Dec; 229(3):764-769.

[3]. Leo F. Salter, et al. A dual‐frequency Belousov Zhabotinskii oscillating reaction with ethyl acetoacetate as organic substrate. substrate. International Journal of Chemical Kinetics. 1982. 14(8), 815–821.

[4]. Iqbal S, et al. 2-Oxo-1,2,3,4-tetrahydropyrimidines Ethyl Esters as Potent β- Glucuronidase Inhibitors: One-pot Synthesis, In vitro and In silico Studies. Med Chem. 201814(8):818-830.  

[5]. Horne SM, et al. Acetoacetate and ethyl acetoacetate as novel inhibitors of bacterial biofilm. Lett Appl Microbiol. 2018 Apr66(4):329-339.  

Density 1.037 g/mL at 25ºC
Boiling Point 181ºC(lit.)
Melting Point -43ºC(lit.)
Molecular Formula C6H10O3
Molecular Weight 131.13400
Flash Point 84ºC
Exact Mass 131.06600
PSA 43.37000
LogP 0.52860
Index of Refraction n20/D 1.419(lit.)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Hazard Codes Xi
Risk Phrases 36/37/38-41
Safety Phrases 26-36
RIDADR UN 1993 / PGIII
Precursor  2

DownStream  1