Description

Butoxycarbonylmethyl Isothiocyanate is a specialized organic building block featuring both an isothiocyanate group and a tert-butoxycarbonyl (Boc) protected amine precursor. This compound matters for its role as a versatile reagent in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and life sciences industries for constructing heterocycles and introducing thiourea or isothiocyanate functionalities under mild conditions.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those containing thiourea or heterocyclic scaffolds with potential biological activity.
• Agrochemical Synthesis: Used in the research and development of new pesticides and herbicides, where the isothiocyanate moiety can be a critical pharmacophore.
• Peptide Modification & Bioconjugation: Serves as a reagent for selectively modifying amino groups on peptides or proteins, useful in probe development and bioconjugation strategies.
• Heterocyclic Chemistry: A valuable precursor for the construction of various nitrogen and sulfur-containing heterocycles, such as thiazoles and imidazolidine-2-thiones, in medicinal chemistry.
• Chemical Biology Research: Employed in the synthesis of activity-based probes (ABPs) or inhibitors that target enzymes like cysteine proteases.
• Material Science Research: Potential use as a monomer or cross-linking agent in the development of novel polymeric materials with specific functional properties.

Basic Information

Product Name	Butoxycarbonylmethyl Isothiocyanate
CAS No.	58511-01-6
Molecular Formula	C7H11NO3S
Molecular Weight	189.23 g/mol
Synonyms	Boc-Aminoethyl Isothiocyanate; (Boc-aminomethyl) Isothiocyanate; 2-[(tert-Butoxycarbonyl)amino]ethyl Isothiocyanate; N-(tert-Butoxycarbonyl)-2-aminoethyl Isothiocyanate; N-Boc-2-aminoethyl Isothiocyanate; 2-Isothiocyanatoethyl Carbamic Acid tert-Butyl Ester; tert-Butyl N-(2-isothiocyanatoethyl)carbamate
EINECS	Contact for details

Quality Control

Our Butoxycarbonylmethyl Isothiocyanate is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by IR and NMR spectroscopy, to ensure it meets the high standards required for research and development applications. Certificates of Analysis (COA) with detailed specifications are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

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.