Description

(4-Chlorobenzoylamino)Malonic Acid-D4 Diethyl Ester is a deuterated derivative of a malonic acid ester, serving as a crucial stable isotope-labeled building block for advanced chemical synthesis. Its core value lies in providing a non-radioactive isotopic tracer, enabling precise metabolic, pharmacokinetic, and mechanistic studies in research and development. This high-purity intermediate is primarily needed by pharmaceutical R&D laboratories, agrochemical innovators, and analytical reference standard manufacturers for applications requiring deuterium-labeled compounds.

Application

• Pharmaceutical Research: As a deuterium-labeled intermediate in the synthesis of novel Active Pharmaceutical Ingredients (APIs) for drug discovery and development programs.
• Metabolic Studies: Used as an internal standard or tracer in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for accurate quantification and metabolic pathway analysis.
• Agrochemical Development: Employed in the synthesis of deuterated analogs of pesticides or herbicides to study environmental fate, degradation, and residue analysis.
• Analytical Reference Standards: Serves as a high-purity certified reference material (CRM) for calibrating analytical instruments and validating methods in regulatory testing.
• Mechanistic Organic Chemistry: A valuable tool for investigating reaction mechanisms, including kinetic isotope effects (KIE), due to the presence of deuterium atoms.
• Material Science: Potential use in the synthesis of specialty polymers or organic electronic materials where isotopic labeling is required for structural or property analysis.

Basic Information

Item	Details
Product Name	(4-Chlorobenzoylamino)Malonic Acid-D4 Diethyl Ester
CAS No.	1216553-23-9
Molecular Formula	C14H11D4ClNO5
Molecular Weight	316.75 g/mol (for deuterated form)
Synonyms	Diethyl (4-Chlorobenzoylamino)malonate-d4; Diethyl 2-[(4-Chlorobenzoyl)amino]malonate-d4; Diethyl (4-Chlorobenzamido)malonate-d4; (4-Chlorobenzamido)malonic Acid Diethyl Ester-d4; Malonic acid, 2-[(4-chlorobenzoyl)amino]-, 1,3-diethyl ester, 2,2,4,4-d4; Deuterated Diethyl (4-Chlorobenzoylamino)malonate; 1,3-Diethyl 2-[(4-chlorobenzoyl)amino]propanedioate-2,2,4,4-d4
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced under strict quality management systems. Each batch of (4-Chlorobenzoylamino)Malonic Acid-D4 Diethyl Ester undergoes rigorous analytical testing, including NMR (¹H, ¹³C) for structural confirmation and deuterium incorporation, and HPLC for chemical purity and isotopic enrichment assessment. We provide comprehensive Certificates of Analysis (COA) detailing all specifications, including assay, isotopic purity (D-enrichment), and impurity profiles. Our quality commitment ensures consistency and reliability for your critical research and development applications.

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). Keep the container sealed to protect this moisture-sensitive material from atmospheric humidity.

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 (D-enrichment)	≥ 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.