Description

Dimethyl (4S)-4-Methyl-(2-Oxooctyl)Phosphonate-D3 is a high-purity, deuterium-labeled phosphonate ester building block of significant synthetic utility. This compound is specifically designed for applications requiring isotopic labeling, offering enhanced stability and traceability in research and development. It is a critical intermediate for organic synthesis, particularly in the pharmaceutical and agrochemical industries, where it is used in the preparation of complex molecules, including active pharmaceutical ingredients (APIs) and advanced materials.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of deuterium-labeled active pharmaceutical ingredients (APIs) and drug candidates in medicinal chemistry.
• Agrochemical Research: Used in the development and synthesis of novel, isotopically labeled pesticides, herbicides, and plant growth regulators.
• Organic Synthesis Reagent: Serves as a versatile Horner-Wadsworth-Emmons (HWE) reagent for the stereoselective formation of carbon-carbon double bonds in complex molecule assembly.
• Metabolic & Pharmacokinetic Studies: The deuterium label (D3) makes it invaluable as an internal standard or tracer in mass spectrometry-based ADME (Absorption, Distribution, Metabolism, and Excretion) studies.
• Material Science Precursor: Employed in the research and development of specialty polymers and advanced organic materials with tailored properties.
• Academic & Contract Research: Essential for research laboratories in universities and CROs (Contract Research Organizations) focusing on synthetic methodology and labeled compound synthesis.

Basic Information

Product Name	Dimethyl (4S)-4-Methyl-(2-Oxooctyl)Phosphonate-D3
CAS No.	1329642-51-4
Molecular Formula	C11H18D3O4P
Molecular Weight	251.27 g/mol (approx.)
Synonyms	(4S)-4-Methyl-2-oxooctylphosphonic acid dimethyl ester-d3; Dimethyl (4S)-4-methyl-2-oxooctylphosphonate-d3; Deuterated Dimethyl (4S)-4-Methyl-2-oxooctylphosphonate; (S)-Dimethyl (4-methyl-2-oxooctyl)phosphonate-d3; D3-labeled HWE reagent; Phosphonate ester-d3; CAS 1329642-51-4.
EINECS	Contact for details

Quality Control

Our Dimethyl (4S)-4-Methyl-(2-Oxooctyl)Phosphonate-D3 is manufactured under strict quality control protocols to ensure high chemical purity, isotopic enrichment, and chiral integrity. Each batch is analyzed using advanced techniques including NMR (¹H, ¹³C, ³¹P), HPLC, GC-MS, and chiral analysis to confirm identity, assay, enantiomeric excess, and deuterium incorporation. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to maintain stability and prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
Deuterium Incorporation (MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.