Description

1-Butene-1,1-D2 is a deuterated derivative of 1-butene, specifically labeled at the 1,1-positions. This isotopic labeling is critical for applications requiring precise molecular tracking and analysis, offering distinct advantages in research and development. It serves as a valuable building block and tracer in advanced chemical synthesis, particularly for the pharmaceutical and agrochemical industries. This compound is essential for scientists and engineers working on reaction mechanism studies, metabolic pathway analysis, and the development of novel materials.

Application

• Deuterated NMR Solvent & Internal Standard: Used as a chemical shift reference and internal standard in Nuclear Magnetic Resonance (NMR) spectroscopy due to its distinct isotopic signature.
• Mechanistic & Kinetic Studies: Acts as a tracer to elucidate reaction pathways, intermediates, and kinetic isotope effects in organic and organometallic catalysis.
• Pharmaceutical Intermediate: Serves as a labeled precursor in the synthesis of deuterated active pharmaceutical ingredients (APIs), which can offer improved metabolic stability and pharmacokinetic profiles.
• Agrochemical Research: Employed in the development and environmental fate studies of new pesticides and herbicides to track degradation pathways.
• Polymer Science: Used to study polymerization mechanisms and to create polymers with specific, labeled segments for advanced material analysis.
• Metabolic Pathway Tracing: Applied in biochemical research to track the incorporation and transformation of small molecules in biological systems.

Basic Information

Product Name	1-Butene-1,1-D2
CAS No.	26119-76-6
Molecular Formula	C4H6D2
Molecular Weight	58.11 g/mol
Synonyms	1-Butene-1,1-dideuterio; (1,1-Dideuterio)but-1-ene; 1-Butene-d2 (1,1-); But-1-ene-1,1-d2; Deuterated 1-Butene; 1-Butene (1,1-D2); 1-C4H6D2
EINECS	Contact for details

Quality Control

Our 1-Butene-1,1-D2 is produced and handled under strict quality protocols to ensure isotopic and chemical purity for sensitive research applications. Each batch is characterized using advanced analytical techniques including NMR and GC-MS to confirm deuterium incorporation and chemical identity. A comprehensive Certificate of Analysis (COA) detailing isotopic purity, chemical assay, and impurity profile is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile nature, store in a cool, well-ventilated area, preferably under an inert atmosphere (e.g., nitrogen or argon) to prevent oxidation or contamination. Recommended storage temperature is 2-8°C for long-term stability. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	Colorless gas / liquid under pressure
Identification (NMR)	Conforms to structure
Isotopic Purity (D)	≥ 98 atom % D
Chemical Purity (GC)	≥ 99.0%
Water Content (KF)	≤ 0.1%

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