Description

1-(Trifluoroacetyl-1-13C)-Imidazole is a high-purity, isotopically labeled building block essential for advanced research and development. This compound matters because it serves as a key reagent for introducing the 13C-labeled trifluoroacetyl moiety, enabling precise tracking and analysis in complex chemical and biological systems. It is primarily needed by scientists and process developers in the pharmaceutical, agrochemical, and analytical chemistry industries for applications in drug metabolism studies, proteomics, and the synthesis of labeled compounds for use as internal standards in mass spectrometry.

Application

• Pharmaceutical Research & Drug Metabolism Studies (DMPK): Used as a derivatization agent or synthetic intermediate to incorporate a 13C label into drug candidates, facilitating accurate pharmacokinetic and metabolite identification studies via LC-MS/MS.
• Proteomics and Biomarker Discovery: Employed in chemical labeling strategies for mass spectrometry-based quantitative proteomics to improve detection sensitivity and accuracy.
• Synthesis of Isotopically Labeled Standards: A crucial precursor for manufacturing stable isotope-labeled internal standards (SIL-IS) used for quantitative analysis in environmental, clinical, and forensic testing.
• Agrochemical Development: Utilized in the research and synthesis of novel, labeled pesticide or herbicide molecules for studying environmental fate and degradation pathways.
• NMR Spectroscopy: Serves as a starting material for preparing 13C-enriched compounds, enhancing signal resolution and simplifying spectral interpretation in nuclear magnetic resonance studies.
• Chemical Biology & Mechanism of Action Studies: Acts as an active-site directed labeling reagent for enzymes and proteins, helping to elucidate biochemical pathways and interaction mechanisms.

Basic Information

Product Name	1-(Trifluoroacetyl-1-13C)-Imidazole
CAS No.	286425-31-8
Molecular Formula	C5H3F3N2O * (13C at position 1 of acetyl)
Molecular Weight	164.09 g/mol (for 13C labeled form)
Synonyms	1-(Trifluoroacetyl-1-13C)-1H-Imidazole; 1H-Imidazole, 1-[(trifluoroacetyl-1-13C)acetyl]-; 13C-Labeled 1-(Trifluoroacetyl)imidazole; 1-(13C-Trifluoroacetyl)imidazole; Imidazole, 1-(trifluoroacetyl-1-13C)-; TFAA-1-13C-Imidazole; N-(Trifluoroacetyl-1-13C)imidazole
EINECS	Contact for details

Quality Control

Every batch of 1-(Trifluoroacetyl-1-13C)-Imidazole is produced and tested under strict quality management protocols to ensure the highest standards of isotopic and chemical purity, critical for sensitive analytical applications. Our products undergo rigorous quality testing, including advanced spectroscopic and chromatographic methods, to ensure compliance with research-grade specifications. Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening to prevent degradation by atmospheric moisture. Keep the container tightly sealed when not in use.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure (13C confirmed)
Purity (HPLC)	≥ 99%
Isotopic Enrichment (13C)	≥ 99 atom %
Water Content (KF)	≤ 0.5%

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