Description

2-Methyl-2-(2,2,2-Trideuterioethyl)Butanedinitrile CAS NO 1246817-05-9 is a deuterated derivative of a key dinitrile intermediate, offering a stable isotopic label for advanced research and development. This compound is critical for applications requiring precise molecular tracking and metabolic pathway analysis due to its deuterium substitution. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and analytical chemistry sectors for the synthesis of labeled compounds and as a standard in mass spectrometry.

Application

• As a stable isotope-labeled intermediate in pharmaceutical research for drug metabolism and pharmacokinetics (DMPK) studies.
• Use in the synthesis of deuterated active pharmaceutical ingredients (APIs) to enhance metabolic stability.
• As a crucial building block for labeled agrochemicals in environmental fate and residue analysis.
• An internal standard in quantitative analytical methods such as LC-MS and GC-MS for improved accuracy.
• For mechanistic studies in organic and medicinal chemistry to trace reaction pathways.
• In the development of specialty polymers and materials where isotopic labeling is required for property analysis.

Basic Information

Product Name	2-Methyl-2-(2,2,2-Trideuterioethyl)Butanedinitrile
CAS No.	1246817-05-9
Molecular Formula	C7H7D3N2
Molecular Weight	125.17 g/mol
Synonyms	2-Methyl-2-(2,2,2-trideuteroethyl)succinonitrile; 2-(2,2,2-Trideuterioethyl)-2-methylpropanedinitrile; Deuterated 2-Ethyl-2-methylsuccinonitrile; 2-Methyl-2-(2,2,2-trideuteroethyl)-1,4-butanedinitrile; 2-Ethyl-2-methyl[2,2,2-2H3]succinonitrile; 2-Methyl-2-(tridideuteroethyl)butanedinitrile; D3-2-Ethyl-2-methylsuccinonitrile
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced under controlled conditions to ensure isotopic purity and chemical integrity. Each batch undergoes rigorous analytical testing, including NMR, HPLC, and MS, to confirm identity, chemical purity, and isotopic enrichment. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific research or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to minimize exposure to atmospheric moisture. Store away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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