Diethyl (2H4)butanedioate

Names

[ CAS No. ]:
52089-62-0

[ Name ]:
Diethyl (2H4)butanedioate

[Synonym ]:
Diethyl (H)butanedioate
Diethyl succinate-2,2,3,3-d4
Diethyl butanedioate-2,2,3,3-d4
Butanedioic-d acid, diethyl ester
MFCD00075229

Biological Activity

[Description]:

Diethyl succinate-d4 is the deuterium labeled Diethyl succinate[1]. Diethyl succinate (Diethyl Butanedioate) is used at physiological pH and crosses biological membranes, incorporates into cells in tissue culture and is metabolized by the TCA cycle. Diethyl succinate is known to be non-toxic and used in fragrances and flavoring[2].

[Related Catalog]:

Signaling Pathways >> Others >> Others
Research Areas >> Metabolic Disease

[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]. Zacharias NM, et al. Real-time molecular imaging of tricarboxylic acid cycle metabolism in vivo by hyperpolarized 1-(13)C diethyl succinate. J Am Chem Soc. 2012 Jan 18;134(2):934-43.  

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
218.4±8.0 °C at 760 mmHg

[ Melting Point ]:
-20ºC(lit.)

[ Molecular Formula ]:
C8H10D4O4

[ Molecular Weight ]:
178.219

[ Flash Point ]:
90.6±0.0 °C

[ Exact Mass ]:
178.114319

[ PSA ]:
52.60000

[ LogP ]:
1.26

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.423

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds