Description

3-(tert-Butoxycarbonyl)Phenyl Isothiocyanate is a specialized organic building block that combines a protected carboxylic acid group with a highly reactive isothiocyanate moiety. This bifunctional nature makes it a critical intermediate for the synthesis of complex molecules, particularly in pharmaceutical research and development. It is primarily utilized by medicinal chemists and process development scientists in the life sciences industry for constructing novel chemical entities, such as potential drug candidates and advanced biochemical probes.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly in oncology and CNS research.
• Peptidomimetic Synthesis: Used to introduce thiourea linkages and the tert-butyloxycarbonyl (Boc)-protected benzoic acid moiety into peptide analogs and peptidomimetics.
• Chemical Biology Probes: Serves as a reagent for labeling proteins or other biomolecules via reaction with amine groups, useful in probe and conjugate development.
• Agrochemical Research: Intermediate in the development of novel herbicides, fungicides, and plant growth regulators.
• Material Science: Potential monomer or cross-linking agent in the synthesis of specialized polymers with unique thermal or chemical properties.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects under cGMP or research-grade conditions.

Basic Information

Product Name	3-(tert-Butoxycarbonyl)Phenyl Isothiocyanate
CAS No.	486415-53-6
Molecular Formula	C12H13NO3S
Molecular Weight	251.30 g/mol
Synonyms	3-[(tert-Butoxy)carbonyl]phenyl isothiocyanate; 3-(Boc)phenyl isothiocyanate; 3-Isothiocyanatobenzoic acid tert-butyl ester; tert-Butyl 3-isothiocyanatobenzoate; 3-(tert-Butyloxycarbonyl)phenyl isothiocyanate; Boc-protected 3-aminobenzoic acid isothiocyanate derivative; m-(Boc)phenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 3-(tert-Butoxycarbonyl)Phenyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) documenting all critical quality attributes are available upon request. We support development from non-GMP research grade through to cGMP standards for advanced clinical 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 (typically 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. Keep away from strong bases, amines, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 10 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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