Description

2-(tert-Butoxycarbonyl)Phenyl Isothiocyanate is a specialized organic building block featuring both a tert-butoxycarbonyl (Boc) protecting group and a reactive isothiocyanate moiety. This compound matters for its critical role in the synthesis of complex molecules, particularly in medicinal chemistry and advanced material science. Pharmaceutical researchers and fine chemical manufacturers need it as a key intermediate for constructing thiourea derivatives, peptidomimetics, and other high-value heterocyclic compounds.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, especially those containing thiourea or related pharmacophores.
• Peptide & Peptidomimetic Chemistry: Used to introduce thiourea linkages or isothiocyanate-functionalized side chains into peptide chains and their synthetic analogs.
• Chemical Biology & Bioconjugation: Serves as a reagent for labeling biomolecules (e.g., proteins, antibodies) due to the isothiocyanate group's reactivity with amines.
• Heterocyclic Compound Synthesis: Employed in the construction of various nitrogen- and sulfur-containing heterocycles, such as benzothiazoles and quinazolines.
• Material Science Research: Acts as a monomer or functionalization agent in the development of novel polymers and advanced organic materials.
• Agrochemical Intermediate: Used in the research and development of novel herbicides, fungicides, and plant growth regulators.

Basic Information

Product Name	2-(tert-Butoxycarbonyl)Phenyl Isothiocyanate
CAS No.	890091-28-8
Molecular Formula	C12H13NO3S
Molecular Weight	251.30 g/mol
Synonyms	2-(Boc)Phenyl Isothiocyanate; 2-(tert-Butyloxycarbonyl)phenyl Isothiocyanate; 2-[(tert-Butoxy)carbonyl]phenyl Isothiocyanate; 2-(tert-Butoxycarbonyl)benzenisothiocyanate; 2-Isothiocyanatobenzoic Acid tert-Butyl Ester; 1-Isothiocyanato-2-(tert-butoxycarbonyl)benzene; Boc-2-Phenyl Isothiocyanate; NSC 405124
EINECS	Contact for details

Quality Control

Our 2-(tert-Butoxycarbonyl)Phenyl Isothiocyanate is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and FTIR, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory compliance needs.

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). The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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