Description

Ethyl Cyanoacetate-3-13C is a stable isotope-labeled derivative of ethyl cyanoacetate, where the carbon atom at the 3-position is enriched with the carbon-13 isotope. This compound is essential for advanced research and development, providing a critical tool for precise metabolic pathway tracing, reaction mechanism elucidation, and quantitative analysis using techniques like NMR and mass spectrometry. It is primarily utilized by pharmaceutical researchers, agrochemical developers, and academic institutions engaged in sophisticated organic synthesis and analytical method development.

Application

• Pharmaceutical Research & Development: As a key labeled intermediate in the synthesis of isotopically labeled active pharmaceutical ingredients (APIs) for pharmacokinetic, pharmacodynamic, and metabolism (ADME) studies.
• Analytical Chemistry Standards: Serving as an internal standard or reference material in quantitative LC-MS and GC-MS analysis to ensure accuracy and reliability in bioanalytical assays.
• Mechanistic Studies: Enabling detailed investigation of organic reaction mechanisms, particularly in condensation reactions like the Knoevenagel condensation, by tracking the fate of the specific carbon atom.
• Metabolic Pathway Tracing: Used in biological and biochemical research to trace the incorporation of specific carbon atoms into complex molecules within living systems.
• Agrochemical Development: As a building block for synthesizing labeled pesticides or herbicides to study their environmental fate, degradation pathways, and residue analysis.
• NMR Spectroscopy: Providing a distinct signal for structural confirmation and complex mixture analysis in nuclear magnetic resonance studies.

Basic Information

Product Name	Ethyl Cyanoacetate-3-13C
CAS No.	698387-41-6
Molecular Formula	C5H713CNO2
Molecular Weight	114.11 g/mol (approx.)
Synonyms	Ethyl (3-13C)cyanoacetate; Cyanoacetic-3-13C acid ethyl ester; Ethyl cyanoacetate (3-13C); [3-13C]Ethyl cyanoacetate; Ethyl 2-cyanoacetate-3-13C; NSC 8827-13C; Malonic acid ethyl ester nitrile-3-13C
EINECS	Contact for details

Quality Control

Our Ethyl Cyanoacetate-3-13C is manufactured under strict quality systems to ensure high isotopic and chemical purity, critical for sensitive research applications. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing parameters such as isotopic enrichment (atom % 13C), chemical purity (by HPLC/GC), and identity confirmation (by NMR and IR). We adhere to relevant industry standards for stable isotope-labeled compounds to guarantee batch-to-batch consistency and reliability for your long-term studies.

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); keep the container tightly sealed under an inert atmosphere if necessary to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥ 98.0%
Isotopic Enrichment	≥ 99 atom % 13C
Chemical Purity (by 1H NMR)	≥ 98.0%
Water Content (KF)	≤ 0.5%

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