Description

2-Isocyano-3,3-Dimethylbutyric Acid Methyl Ester is a versatile isocyanide building block essential for the synthesis of complex heterocycles and natural product analogs. Its primary value lies in enabling efficient multicomponent reactions (MCRs), such as the Ugi and Passerini reactions, which are critical for rapid library generation in medicinal chemistry. This compound is a key reagent for researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries seeking to develop novel compounds with high atom economy.

Application

• Pharmaceutical Intermediate: A crucial building block for synthesizing heterocyclic scaffolds, peptidomimetics, and potential drug candidates via isocyanide-based multicomponent reactions.
• Agrochemical Research: Used in the development of novel fungicides, herbicides, and insecticides by constructing complex molecular architectures.
• Material Science: Employed in the synthesis of functional polymers and smart materials where the isocyano group facilitates unique polymerization or cross-linking pathways.
• Chemical Biology & Proteomics: Serves as a valuable probe or linker in bio-conjugation chemistry and activity-based protein profiling (ABPP).
• Academic & R&D Laboratories: A fundamental reagent for methodological development in organic synthesis and catalysis studies.
• Dye & Pigment Synthesis: Used as an intermediate in creating specialized organic colorants and photoactive compounds.

Basic Information

Product Name	2-Isocyano-3,3-Dimethylbutyric Acid Methyl Ester
CAS No.	730964-77-9
Molecular Formula	C9H15NO2
Molecular Weight	169.22 g/mol
Synonyms	Methyl 2-Isocyano-3,3-dimethylbutanoate; 3,3-Dimethyl-2-isocyanobutanoic Acid Methyl Ester; 2-Isocyano-3,3-dimethylbutyric Acid Methyl Ester; Methyl 3,3-Dimethyl-2-isocyanobutanoate; 2-Isocyano-3,3-dimethyl-butyric acid methyl ester; Isocyanide C9; t-Butyl isocyanoacetate methyl ester analog
EINECS	Contact for details

Quality Control

Our 2-Isocyano-3,3-Dimethylbutyric Acid Methyl Ester is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including NMR, HPLC, and GC analysis, to ensure high purity and consistency. A Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to guarantee it meets your specific research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in the original packaging or amber glass until use.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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