54522-92-8

Usage

Uses

Used in Petrochemical Industry:
ETHYNYL-2-13C-BENZENE is used as an intermediate for the production of styrene, a key component in the synthesis of polystyrene. Polystyrene is a widely used plastic material known for its versatility and ease of processing, making it a popular choice for a range of applications, including packaging, insulation, and consumer products.
Used in Research and Development:
ETHYNYL-2-13C-BENZENE serves as a valuable tool in research and development due to its carbon-13 labeling. This characteristic allows scientists to track the compound's behavior and interactions within various chemical processes, providing insights into reaction mechanisms and potential improvements in the production of related compounds and materials.
Used in Analytical Chemistry:
The carbon-13 labeling of ETHYNYL-2-13C-BENZENE makes it an ideal candidate for use in analytical chemistry, particularly in techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. These methods rely on the detection and analysis of isotopes to identify and quantify compounds, and the presence of carbon-13 in ETHYNYL-2-13C-BENZENE enhances its detectability and traceability in complex mixtures.
Used in Environmental Studies:
ETHYNYL-2-13C-BENZENE can be employed in environmental studies to investigate the fate and transport of aromatic hydrocarbons in the environment. The carbon-13 labeling allows for the differentiation between naturally occurring and anthropogenic sources of these compounds, providing valuable information on their environmental impact and potential remediation strategies.
Used in Pharmaceutical Industry:
As an analogue of Ethynylbenzene, ETHYNYL-2-13C-BENZENE may also find applications in the pharmaceutical industry, particularly in the development of new drugs and the study of drug metabolism. The carbon-13 labeling can help researchers understand the metabolic pathways and interactions of related compounds, potentially leading to the discovery of novel therapeutic agents.

Upstream product

• 549548-77-8 (E)-(β-13C)-β-bromostyrene 
• 57825-33-9 (1-13C)-phenylacetic acid 
• 100-52-7 benzaldehyde 
• 78064-70-7 <1-(13)C>-2-Phenylacetaldehyde 
• 100-39-0 benzyl bromide 
• 91230-88-5 1-phenylethanol-2-13C 
• 71777-36-1 acetophenone-β-¹³C 

Downstream Products

• 91230-89-6 phenylacetylene-2-13C-2-2H 
• 946075-65-6 C₁₃⁽¹³⁾CH₁₈ 
• 928044-55-7 (κ3-C6H3-2,6-(CH2P(t)Bu2)2)Ir(PhC=CH2)(C2Ph) 
• 1068707-40-3 RhCl(PPr(i)3)2(η2-PhC(13)CH) 
• 1393363-16-0 1-phenyl-1,3-pentadiyne-2-13C 
• 1393363-13-7 diphenylbutadiyne-2-13C 
• 928044-57-9 (κ3-C6H3-2,6-(CH2P(t)Bu2)2)Ir(PhC=CH2)(C2Ph)(CO) 

Relevant academic research and scientific papers

A highly active and air-stable ruthenium complex for the ambient temperature anti-markovnikov reductive hydration of terminal alkynes

The conversion of terminal alkynes to functionalized products by the direct addition of heteroatom-based nucleophiles is an important aim in catalysis. We report the design, synthesis, and mechanistic studies of the half-sandwich ruthenium complex 12, which is a highly active catalyst for the anti-Markovnikov reductive hydration of alkynes. The key design element of 12 involves a tridentate nitrogen-based ligand that contains a hemilabile 3-(dimethylamino) propyl substituent. Under neutral conditions, the dimethylamino substituent coordinates to the ruthenium center to generate an air-stable, 18-electron, κ3-complex. Mechanistic studies show that the dimethylamino substituent is partially dissociated from the ruthenium center (by protonation) in the reaction media, thereby generating a vacant coordination site for catalysis. These studies also show that this substituent increases hydrogenation activity by promoting activation of the reductant. At least three catalytic cycles, involving the decarboxylation of formic acid, hydration of the alkyne, and hydrogenation of the intermediate aldehyde, operate concurrently in reactions mediated by 12. A wide array of terminal alkynes are efficiently processed to linear alcohols using as little as 2 mol % of 12 at ambient temperature, and the complex 12 is stable for at least two weeks under air. The studies outlined herein establish 12 as the most active and practical catalyst for anti-Markovnikov reductive hydration discovered to date, define the structural parameters of 12 underlying its activity and stability, and delineate design strategies for synthesis of other multifunctional catalysts.

Rearrangement of indene skeletons under mild conditions

(Chemical Equation Presented) Isomerization between two isomers of 1,2-disubstituted 3-aminoindenes occurs via the rearrangement of indene frameworks. In contrast to previous rearrangements of indene derivatives, which occur under high-temperature conditi

Study of the mechanism of base induced dehydrobromination of trans-β-bromostyrene

Observation that rates of dehydrobromination of trans-β-bromostyrene (1) and the Hofmann degradation of tetrabutyl ammonium cation depend on strength of base in different ways and that treatment of 1 with base results in fast abstraction of the β-proton imply the possibility that the dehydrobromination of 1 could proceed via α-elimination and Ph migration. In order to clarify this question, β-13C-labeled 1 was obtained and subjected to PTC dehydrobromination which proceeds without migration of Ph. The obtained results are consistent with an irreversible E1cB mechanism.

Thermal Stereomutations of (2R,3R)-Phenylcyclopropane-1,2,3-2H3 and (1R,2S,3R)-Phenylcyclopropane-2-13C-1,2,3-2H3: Quantification of All Four Stereochemical Modes for Interconversions among the 1-Phenyl-1,2,3-trideuterocyclopropanes

Optically pure (2R,3R)-phenylcyclopropane-1,2,3-2H3 and (1R,2S,3R)-phenylcyclopropane-2-13C-1,2,3-2H3 have been prepared and the thermal stereomutations they exhibit have been followed kinetically at 309.3 deg C to provide the first complete quantificatio