structure of 1-Ethyl-2-isocyanobenzene

1-Ethyl-2-isocyanobenzene

CAS No.: 63212-32-8
M. Wt: 131.17400
M. Fa: C9H9N
InChI Key: URRLGKSRAQOOIV-UHFFFAOYSA-N

Names and Identifiers of 1-Ethyl-2-isocyanobenzene

CAS Number

63212-32-8

EC Number

860-404-5

IUPAC Name

1-ethyl-2-isocyanobenzene

InChI

InChI=1S/C9H9N/c1-3-8-6-4-5-7-9(8)10-2/h4-7H,3H2,1H3

InChIKey

URRLGKSRAQOOIV-UHFFFAOYSA-N

Canonical SMILES

CCC1=CC=CC=C1[N+]#[C-]

Physical and chemical properties of 1-Ethyl-2-isocyanobenzene

Exact Mass

131.07300

LogP

2.03050

Molecular Formula

C9H9N

Molecular Weight

131.17400

Safety Information of 1-Ethyl-2-isocyanobenzene

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1-Ethyl-2-isocyanobenzene

1-Ethyl-2-isocyanobenzene finds applications across various fields:

  • Chemical Research: It serves as a building block in synthesizing complex organic molecules and as a reagent in numerous organic reactions.
  • Biological Studies: The compound is investigated for its potential biological activity and utility in synthesizing bioactive molecules.
  • Pharmaceutical Development: Ongoing research explores its role as a precursor for pharmaceuticals.
  • Industrial Use: It is employed in producing specialty chemicals and materials.

Interaction Studies of 1-Ethyl-2-isocyanobenzene

Studies have highlighted interactions between 1-ethyl-2-isocyanobenzene and metalloproteins. Isocyanides have been shown to interact with cytochrome P450 enzymes, influencing their catalytic activity. Such interactions are crucial for understanding the compound's potential effects on biological systems and its utility in medicinal chemistry.

Biological Activity of 1-Ethyl-2-isocyanobenzene

Research indicates that 1-ethyl-2-isocyanobenzene exhibits potential biological activity. Isocyanides, in general, have been studied for their antibacterial, antifungal, antimalarial, antiviral, and antitumoral properties. Specific studies have shown that isocyanides can inhibit various biological pathways, making them candidates for drug development and therapeutic applications.

Retrosynthesis analysis of 1-Ethyl-2-isocyanobenzene

  • Route#1

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