Name: Triethyl Orthoacetate-[d3]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-012132

CAS: 97419-13-1

Molecular Formula: C8H15D3O3

Molecular Weight: 165.25

Chemical Structure

Description	Labelled Triethyl orthoacetate. Triethyl orthoacetate is used as a pharmaceutical and water scavenger. It is also used in organic synthesis to introduce the acetate group into an alcohol. It is involved in the Johnson-Claisen rearrangement.
Synonyms	Triethyl Orthoacetate D3
IUPAC Name	1,1,1-trideuterio-2,2,2-triethoxyethane
Related CAS	78-39-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(OCC)(OCC)OCC
Canonical SMILES	CCOC(C)(OCC)OCC
InChI	InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3/i4D3
InChI Key	NDQXKKFRNOPRDW-GKOSEXJESA-N
Boiling Point	145.0±0.0 °C at 760 mmHg
Purity	95% atom D
Density	0.9±0.1 g/cm3
Application	The four-center reactions of alkanol-alkoxide negative ions with alkyl ethers and ortho-acetates. An ion cyclotron resonance study.
Storage	Store at -20°C

Triethyl Orthoacetate-[d3], a deuterated chemical compound commonly utilized in research and development, offers a myriad of applications, each characterized by high perplexity and burstiness:

Isotopic Labeling Studies: In the realm of organic chemistry, Triethyl Orthoacetate-[d3] plays a pivotal role in isotopic labeling studies, enabling the tracing and analysis of reaction mechanisms. By swapping hydrogen atoms with deuterium, researchers delve into kinetic isotope effects, unraveling intricate reaction pathways. This knowledge is paramount for deciphering chemical reactions and optimizing synthetic processes with precision.

NMR Spectroscopy: Within the domain of nuclear magnetic resonance (NMR) spectroscopy, Triethyl Orthoacetate-[d3] emerges as a crucial reference compound, distinguished by its deuterium content. The inclusion of [d3] isotopes yields distinctive spectral signals, facilitating the resolution and identification of compounds amidst complex mixtures. This utility is fundamental for unraveling structures and ensuring quality assurance in chemical and pharmaceutical investigations.

Stable Isotope Tracing: Delving into metabolic pathways, Triethyl Orthoacetate-[d3] empowers stable isotope tracing experiments, shedding light on the intricate web of biological processes. Through the introduction of deuterated compounds into biological systems, researchers track the label's integration and dispersion across metabolic intermediates. This technique unravels metabolic fluxes and energy dynamics, enriching our understanding of biological systems at a molecular level.

Organic Synthesis: Within the realm of organic chemistry, Triethyl Orthoacetate-[d3] serves as a versatile precursor and reagent for synthesizing deuterated compounds. Its deuterium atoms introduce vital isotopic labeling into intricate molecules, crucial for pharmacokinetic and metabolic assessments. This aids in the formulation of pharmaceuticals and compounds with heightened stability and modified distribution profiles, heralding advancements in drug development and molecular exploration.