84508-55-4

84508-55-4 structure

Name: Ethyl acetoacetate-13C4
Chemical Name: Ethyl 3-oxobutanate(1,2,3,4-13C4)
CAS Number: 84508-55-4
Molecular Formula: C₆H₁₀O₃
Molecular Weight: 134.11200
Catalog: Signaling Pathways Anti-infection Bacterial
Create Date: 2019-02-15 18:13:11
Modify Date: 2024-01-08 01:32:15
Ethyl acetoacetate-13C4 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 3-oxobutanate(1,2,3,4-13C4)
Synonyms	Ethyl acetoacetate-1,2,3,4-13C4 Ethyl 3-oxo(13C4)butanoate MFCD00083958

Description	Ethyl acetoacetate-13C4 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	Research Areas >> Others Signaling Pathways >> Anti-infection >> Bacterial
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	1.052 g/mL at 25ºC
Boiling Point	181ºC(lit.)
Melting Point	-43ºC(lit.)
Molecular Formula	C₆H₁₀O₃
Molecular Weight	134.11200
Flash Point	184 °F
Exact Mass	134.07600
PSA	43.37000
LogP	0.52860
Index of Refraction	n20/D 1.419(lit.)

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	26-36
RIDADR	UN 1993 / PGIII

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