Description

1,1,3,3-Tetramethylbutyl Isocyanide is a versatile organoisocyanide building block characterized by its sterically hindered, bulky tert-octyl group. This compound is a critical reagent in multi-component reactions, enabling the efficient synthesis of complex heterocyclic scaffolds and natural product analogs. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel molecular architectures.

Application

• Pharmaceutical Intermediate: A key reactant in Ugi and Passerini multi-component reactions for the rapid generation of diverse compound libraries in drug discovery.
• Agrochemical Synthesis: Used in the preparation of novel fungicides, herbicides, and insecticides with complex steric profiles.
• Ligand Precursor: Serves as a precursor for the synthesis of specialized N-heterocyclic carbene (NHC) ligands in transition metal catalysis.
• Material Science: Employed in the development of functional polymers and smart materials via isocyanide-based polymerization techniques.
• Chemical Biology: Utilized as a bioorthogonal reagent for protein labeling and bioconjugation strategies.
• Academic & Industrial Research: A fundamental tool for methodological development in synthetic organic chemistry.

Basic Information

Product Name	1,1,3,3-Tetramethylbutyl Isocyanide
CAS No.	14542-93-9
Molecular Formula	C9H17N
Molecular Weight	139.24 g/mol
Synonyms	tert-Octyl Isocyanide; 2,4,4-Trimethyl-2-pentyl Isocyanide; 1,1,3,3-Tetramethylbutyl Isonitrile; (2,4,4-Trimethylpentan-2-yl) Isocyanide; TMBI; tert-Octyl Isonitrile; 2-(Isocyanomethyl)-2,4,4-trimethylpentane
EINECS	Contact for details

Quality Control

Our 1,1,3,3-Tetramethylbutyl Isocyanide is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including GC, NMR, and FTIR, to ensure high purity and consistent performance. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications for research and industrial use.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use and stored away from heat and ignition sources. For long-term storage, consider maintaining under an inert atmosphere.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Purity (GC)	≥ 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.