71580-43-3

Usage

Molecular Structure

Five-membered heterocyclic ring with an ethynyl group 1H-Pyrrole, 3-ethynylhas a five-membered ring structure that contains four carbon atoms and one nitrogen atom. The ethynyl group, which consists of two carbon atoms bonded together by a triple bond, is attached to the third position of the pyrrole ring.

Class of Compound

Pyrrole derivative 1H-Pyrrole, 3-ethynylbelongs to the class of pyrrole derivatives, which are heterocyclic compounds with a five-membered ring containing one nitrogen atom.

Usage

Organic synthesis and pharmaceutical research 1H-Pyrrole, 3-ethynylis used in organic synthesis and pharmaceutical research, and has potential applications in drug development.

Industrial Uses

Production of fine chemicals and materials 1H-Pyrrole, 3-ethynylmay also have other industrial uses, such as in the production of fine chemicals and materials.

Safety Precautions

Health and environmental hazards It is important to handle 1H-Pyrrole, 3-ethynylwith care, as it may have health and environmental hazards associated with its use.

Upstream product

• 61204-14-6 3,-pyridylmethyl radical 
• 3731-53-1 4-(aminomethyl)pyridine 
• 3731-51-9 2-(Aminomethyl)pyridine 

Relevant academic research and scientific papers

Decomposition of Picolyl Radicals at High Temperature: A Mass Selective Threshold Photoelectron Spectroscopy Study

The reaction products of the picolyl radicals at high temperature were characterized by mass-selective threshold photoelectron spectroscopy in the gas phase. Aminomethylpyridines were pyrolyzed to initially produce picolyl radicals (m/z=92). At higher temperatures further thermal reaction products are generated in the pyrolysis reactor. All compounds were identified by mass-selected threshold photoelectron spectroscopy and several hitherto unexplored reactive molecules were characterized. The mechanism for several dissociation pathways was outlined in computations. The spectrum of m/z=91, resulting from hydrogen loss of picolyl, shows four isomers, two ethynyl pyrroles with adiabatic ionization energies (IEad) of 7.99 eV (2-ethynyl-1H-pyrrole) and 8.12 eV (3-ethynyl-1H-pyrrole), and two cyclopentadiene carbonitriles with IE′s of 9.14 eV (cyclopenta-1,3-diene-1-carbonitrile) and 9.25 eV (cyclopenta-1,4-diene-1-carbonitrile). A second consecutive hydrogen loss forms the cyanocyclopentadienyl radical with IE′s of 9.07 eV (T0) and 9.21 eV (S1). This compound dissociates further to acetylene and the cyanopropynyl radical (IE=9.35 eV). Furthermore, the cyclopentadienyl radical, penta-1,3-diyne, cyclopentadiene and propargyl were identified in the spectra. Computations indicate that dissociation of picolyl proceeds initially via a resonance-stabilized seven-membered ring.