100134-82-5

Benzyl (2-cyanopropan-2-yl-)carbamate CASNO:100134-82-5

Chemical and Physical Properties

CAS Number: 100134-82-5

Molecular Formula: C₁₂H₁₄N₂O₂

Molecular Weight: 218.25 g/mol

Melting Point: 97 °C

Appearance: Colourless solid or liquid depending on purity

Boiling Point: 381.6 °C at 760 mmHg

Flash Point: 184.6 °C

SMILES: C(OC(NC(C#N)(C)C)=O)C1=CC=CC=C1

Solubility: Sparingly soluble in water

Structure: Comprises a carbamate functional group linked to a benzyl group and a cyano-substituted isopropyl moiety.

Benzyl (2-cyanopropan-2-yl-)carbamate (CAS No. 100134-82-5) is an organic chemical compound primarily used as a pharmaceutical intermediate. It is known for its role in the synthesis of complex molecules, particularly HIV-integrase inhibitors

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Synonyms

Benzyl [1-cyano-1-methylethyl]carbamate

Benzyl N-(2-cyanopropan-2-yl)carbamate

Raltegravir Intermediate 1

1-Cyano-1-methylethylcarbamic acid benzyl ester

Uses and Applications

Pharmaceutical Intermediate: Primarily used in the synthesis of pharmaceuticals.

HIV-Integrase Inhibitors: Specifically used as a key intermediate in the preparation of HIV-integrase inhibitors, such as Raltegravir.

Chemical Synthesis: Acts as a reagent for introducing a protected amino group in organic research and development. 

Safety and Handling

  • Handling: Should be handled with care, as it may pose risks if ingested or inhaled.
  • Storage: Store in a cool, dry place, typically under inert gas, to maintain purity.
  • Hazards: May cause irritation to eyes and skin; potential for toxicity if swallowed or inhaled.

 

 

FAQs

What is Benzyl (2-cyanopropan-2-yl)carbamate?
It is a carbamate derivative commonly used as an intermediate in organic synthesis and pharmaceutical development
What is the CAS number of this compound?

The CAS number is 100134-82-5.

What are the main applications of this compound?

It is used in organic synthesis, pharmaceutical intermediates, and research involving nitrile-containing compounds.

What functional groups are present in this compound?

It contains carbamate, nitrile (cyano), and benzyl functional groups, contributing to its reactivity and versatility.

Is this compound used in drug development?

Yes, it can serve as an intermediate in the synthesis of active pharmaceutical ingredients (APIs).

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