Description

2,2-Dimethyl-D6-Butyryl Chloride CAS NO 1185011-66-8 is a deuterated derivative of pivaloyl chloride, a versatile reagent used to introduce the pivaloyl protecting group or the *tert*-butyl moiety in organic synthesis. This compound is specifically valued for its role as a stable isotope-labeled building block, enabling advanced research and development in analytical chemistry and life sciences. It is essential for scientists and manufacturers in the pharmaceutical, agrochemical, and material science industries who require high-purity, labeled intermediates for metabolic studies, tracer synthesis, and NMR spectroscopy.

Application

• Pharmaceutical Research & Development: As a deuterium-labeled reagent for synthesizing isotopically labeled drug candidates and metabolites for pharmacokinetic (PK) and absorption, distribution, metabolism, and excretion (ADME) studies.
• Analytical Chemistry Standards: Used in the preparation of internal standards for mass spectrometry (MS) and liquid chromatography-mass spectrometry (LC-MS) to ensure accurate quantitative analysis.
• Organic Synthesis Intermediate: Functions as a key deuterated acylating agent for introducing the 2,2-dimethylpropanoyl (pivaloyl) group in complex molecule synthesis.
• NMR Spectroscopy: Serves as a useful probe in nuclear magnetic resonance studies due to the distinct signal of deuterium atoms, aiding in mechanistic and structural elucidation.
• Agrochemical Development: Employed in the synthesis of labeled pesticide or herbicide analogs for environmental fate and metabolic pathway tracing studies.
• Material Science: Potential use in the synthesis of specialty polymers or advanced materials where deuterium incorporation is required to modify physical properties.

Basic Information

Product Name	2,2-Dimethyl-D6-Butyryl Chloride
CAS No.	1185011-66-8
Molecular Formula	C6D6ClO
Molecular Weight	137.62 g/mol
Synonyms	Pivaloyl-D6 Chloride; 2,2-Dimethylpropanoyl-D6 Chloride; Trimethylacetyl-D6 Chloride; (2,2-Dimethylpropanoyl-d6) Chloride; tert-Butyl-D6 Carbonyl Chloride; Deuterated Pivaloyl Chloride; Perdeuterated Pivaloyl Chloride; C6D6ClO
EINECS	Contact for details

Quality Control

Our 2,2-Dimethyl-D6-Butyryl Chloride is manufactured under strict quality control protocols to ensure high isotopic and chemical purity suitable for sensitive research applications. Each batch is analyzed via NMR, GC-MS, and HPLC to confirm identity, isotopic enrichment (D-atom %), and purity. 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, well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be handled under an inert atmosphere (e.g., nitrogen or argon) to prevent decomposition. Keep away from heat, open flames, and incompatible materials such as water, alcohols, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 98.0%
Isotopic Purity (D-Atom %)	≥ 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.