Description

4-(Diethylphosphono)-3-Methyl-2-Butenenitrile-13C2, E/Z Mixture is a stable isotope-labeled (13C2) organophosphorus compound, serving as a critical building block in advanced synthetic chemistry. This labeled analog is essential for creating isotopically enriched target molecules, enabling precise metabolic and pharmacokinetic studies in pharmaceutical research. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for applications requiring isotopic tracing.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of 13C-labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Agrochemical Research: Used in the development of isotopically labeled pesticides and herbicides to study environmental fate, degradation pathways, and residue analysis.
• Metabolic Pathway Tracing: Enables the tracking of specific molecular fragments in biological systems using Mass Spectrometry (MS) and Nuclear Magnetic Resonance (NMR) techniques.
• Fine Chemical Synthesis: A versatile Horner-Wadsworth-Emmons reagent for the stereoselective synthesis of labeled α,β-unsaturated nitriles and other complex organic molecules.
• Standards for Analytical Testing: Serves as an internal standard or reference material in quantitative LC-MS and GC-MS analysis, improving accuracy and reliability.

Basic Information

Product Name	4-(Diethylphosphono)-3-Methyl-2-Butenenitrile-13C2, E/Z Mixture
CAS No.	1331637-92-3
Molecular Formula	C9H16NO3P (13C2)
Molecular Weight	~217.19 g/mol (13C2)
Synonyms	Diethyl (1-Cyano-2-methylprop-1-en-1-yl)phosphonate-13C2; (1-Cyano-2-methylprop-1-enyl)phosphonic Acid Diethyl Ester-13C2; 3-Methyl-2-butenenitrile, 4-(diethylphosphono)-, 13C2-labeled; 13C2-Labeled 4-(Diethylphosphono)-3-methyl-2-butenenitrile; E/Z Mixture of 13C2 Labeled Diethyl (1-cyano-2-methylprop-1-enyl)phosphonate
EINECS	Contact for details

Quality Control

Our 4-(Diethylphosphono)-3-Methyl-2-Butenenitrile-13C2, E/Z Mixture is manufactured under strict quality control protocols to ensure high isotopic and chemical purity. Each batch is analyzed via NMR, HPLC, and Mass Spectrometry to confirm identity, isomeric ratio (E/Z), isotopic enrichment, and impurity profile. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (E/Z Mixture)
Isomeric Ratio (E/Z)	Specified on COA
Isotopic Enrichment (MS)	≥ 99 atom % 13C (on labeled positions)
Water Content (KF)	≤ 0.5%

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