p-Toluenesulfonyl Isocyanate

Pharmaceutical Materials 2025-03-02

CAS Number: 4083-64-1.

Molecular Formula: C8H7NO3S.

Molecular Weight: 197.21 g/mol.

Appearance: Colorless transparent liquid.

Usage: Commonly used as a dehydrating agent in chemical products and as an intermediate in the synthesis of pharmaceuticals or pesticides.

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Property Details
Molecular Formula C8H7NO3S
Molecular Weight 197.21 g/mol
CAS Number 4083-64-1
Appearance Colorless to pale yellow liquid or crystalline solid
Purity Typically ≥98%
Melting Point 38-40 °C (solid form)
Boiling Point 120-125 °C (at 10 mmHg)
Density ~1.2 g/cm³ (predicted)
Solubility Soluble in organic solvents such as ether, benzene, and DMSO; reacts with water
Applications Organic synthesis, pharmaceuticals, and chemical intermediates
Safety Considerations Highly reactive and toxic; handle with care; avoid contact with skin, eyes, and moisture; store in a cool, dry place under inert gas
Suppliers Available from specialized chemical suppliers globally

Applications

p-Toluenesulfonyl Isocyanate is a reactive compound widely used in organic synthesis, pharmaceuticals, and as a chemical intermediate. Its isocyanate group and tosyl (p-toluenesulfonyl) moiety provide unique reactivity, making it a valuable tool in the synthesis of various chemicals.

In organic synthesis, p-Toluenesulfonyl Isocyanate is utilized as a building block for the synthesis of complex molecules, such as ureas, carbamates, and heterocyclic compounds. Its isocyanate group readily reacts with amines, alcohols, and other nucleophiles, allowing for the formation of stable bonds and the introduction of diverse chemical groups.

In pharmaceuticals, this compound is used in the development of drugs with diverse biological activities. The tosyl group can be used as a protecting group or as a means to introduce specific functionality into drug molecules.

As a chemical intermediate, p-Toluenesulfonyl Isocyanate is employed in the synthesis of various organic compounds, including pesticides, dyes, and polymers. Its reactivity with water and other protic solvents necessitates careful handling and storage under inert gas to maintain its stability and reactivity.