Description

1-(tert-Butyl)-4-(Isothiocyanatocarbonyl)Benzene is a specialized organic intermediate featuring both an isothiocyanate and a carbonyl functional group on a benzene ring. This compound matters for its role as a versatile building block in advanced chemical synthesis, enabling the creation of complex molecules with tailored properties. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for constructing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting specific biological pathways.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its reactive functional groups for structural diversity.
• Chemical Biology Probe Synthesis: The isothiocyanate group is valuable for creating affinity-based probes to study protein function and interactions.
• Polymer Modification: Acts as a functional monomer or cross-linking agent to introduce specific chemical handles into polymer backbones.
• Ligand Synthesis for Catalysis: Employed in the preparation of sophisticated ligands for transition metal catalysts used in asymmetric synthesis.
• Material Science Research: Utilized in the development of advanced organic materials, such as liquid crystals or organic semiconductors.

Basic Information

Product Name	1-(tert-Butyl)-4-(Isothiocyanatocarbonyl)Benzene
CAS No.	680214-97-5
Molecular Formula	C12H13NO2S
Molecular Weight	235.30 g/mol
Synonyms	4-(tert-Butyl)benzoyl isothiocyanate; p-tert-Butylbenzoyl isothiocyanate; 1-(1,1-Dimethylethyl)-4-(isothiocyanatocarbonyl)benzene; 4-tert-Butylbenzoyl isothiocyanate; Benzene, 1-(1,1-dimethylethyl)-4-(isothiocyanatocarbonyl)-; Isothiocyanic acid, 4-(1,1-dimethylethyl)benzoyl ester
EINECS	Contact for details

Quality Control

Our 1-(tert-Butyl)-4-(Isothiocyanatocarbonyl)Benzene is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to support your quality assurance and regulatory 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). Due to its hygroscopic nature, the container must be kept tightly sealed to exclude moisture. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%
Heavy Metals	≤ 20 ppm

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