Description

4-(Phenyl-D5)-3-Buten-2-One is a deuterated derivative of benzalacetone, featuring a pentadeuterated phenyl ring. This labeled compound is a critical intermediate in the synthesis of deuterated pharmaceuticals and advanced materials, offering enhanced metabolic stability and analytical precision. It is primarily utilized by research institutions and chemical manufacturers specializing in the development of stable isotope-labeled compounds for use in mass spectrometry, NMR spectroscopy, and pharmacokinetic studies.

Application

• Deuterated Pharmaceutical Synthesis: A key building block for creating active pharmaceutical ingredients (APIs) labeled with deuterium for drug discovery and development.
• Metabolic & Pharmacokinetic Studies: Used as an internal standard or tracer in mass spectrometry to study drug metabolism, absorption, and distribution.
• NMR Spectroscopy: Serves as a valuable probe in nuclear magnetic resonance studies due to the distinct signal of deuterium atoms.
• Organic Light-Emitting Diodes (OLEDs): A potential intermediate in the synthesis of deuterated organic semiconductors to improve device lifetime and efficiency.
• Polymer & Material Science: Used in the research and production of specialty polymers where deuterium labeling is required for structural analysis.
• Analytical Reference Standards: Manufactured to high purity for use as certified reference materials in analytical laboratories.

Basic Information

Product Name	4-(Phenyl-D5)-3-Buten-2-One
CAS No.	56187-93-0
Molecular Formula	C10H5D5O
Molecular Weight	151.22 g/mol
Synonyms	Benzalacetone-d5; (E)-4-Phenyl-3-buten-2-one-d5; 4-Phenyl-3-buten-2-one (phenyl-d5); 1-Phenyl-1-buten-3-one-d5; Deutero Benzylideneacetone; 4-(2H5)Phenyl-3-buten-2-one; 56187-93-0; Benzylideneacetone-d5
EINECS	Contact for details

Quality Control

Our 4-(Phenyl-D5)-3-Buten-2-One is produced under strict quality management systems. Each batch is characterized and tested to ensure high chemical purity and isotopic enrichment, typically exceeding 98 atom % D. Standard analytical techniques include NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and isotopic content is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated area. Keep away from heat, sparks, and open flame. Due to its sensitivity, prolonged exposure to air and light should be avoided.

Specification

Item	Specification
Appearance	White to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (NMR)	≥ 98 atom % D
Melting Point	40 - 43 °C
Residual Solvents (GC)	Complies with ICH guidelines

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