138151-99-2

Usage

Uses

Used in Chemical Research:
o-Tolualdehyde-13C1 (carbonyl-13C) is used as a labeled compound for chemical analysis and reaction monitoring. The presence of carbon-13 allows researchers to track the compound's behavior within complex chemical systems, providing insights into reaction mechanisms and pathways.
Used in Biochemical Studies:
In biochemistry, o-Tolualdehyde-13C1 (carbonyl-13C) serves as a labeled substrate or inhibitor for enzyme-catalyzed reactions. The carbon-13 isotope can be detected using techniques like mass spectrometry, which helps in understanding enzyme specificity, kinetics, and the role of the compound in biological processes.
Used in Pharmaceutical Development:
o-Tolualdehyde-13C1 (carbonyl-13C) is used as a labeled reference material in the development of new drugs. It can be employed to study the metabolism of related compounds, assess the effectiveness of drug candidates, and optimize drug design for improved pharmacokinetic and pharmacodynamic properties.
Used in Environmental Science:
In environmental science, o-Tolualdehyde-13C1 (carbonyl-13C) can be utilized as a tracer to investigate the fate and transport of related compounds in the environment. This information is crucial for assessing the environmental impact of these compounds and developing strategies for their mitigation.
Used in Educational Purposes:
o-Tolualdehyde-13C1 (carbonyl-13C) is also used as an educational tool to demonstrate the principles of isotope labeling and its applications in various scientific disciplines. It can be incorporated into laboratory exercises and demonstrations to enhance students' understanding of these concepts.

Upstream product

• 32488-43-0 N,N-dimethylform-¹³C-amide 
• 95-46-5 2-methylphenyl bromide 
• 339222-04-7 o-methyl<α-13C>benzyl alcohol 
• 136391-75-8 methyl -o-toluate 
• 70838-82-3 -o-toluic acid 
• 3880-99-7 1-(13C)benzoic acid 
• 10383-90-1 ⁽¹³⁾C-benzaldehyde 
• 74-88-4 methyl iodide 

Downstream Products

• 138152-00-8 (E)-2,2-dimethyl<α,β-13C2>stilbene 
• 339222-05-8 [1-13C] 1-(2'-methylphenyl)-2,2,4-trimethylpentan-3-on-1-ol 
• 339222-06-9 [1-13C] 1-(2'-methylphenyl)-2,2,4-trimethylpenta-1,3-dione 
• 1616860-23-1 ¹³C-1-o-tolylhept-2-yn-1-one 
• 1616860-14-0 1-o-tolylhept-1-yn-3-one 

Relevant academic research and scientific papers

Gold-catalyzed 1,3-transposition of ynones

An efficient, regioselective gold-catalyzed 1,3-transposition reaction of ynones and diynones has been developed. It was found that stereoelectronic (interrupted conjugation) and electronic (extended conjugation) factors could efficiently govern the regio

The elusive benzocyclobutenylidene: A combined computational and experimental attempt

Ab initio and density functional theory calculations predict that benzocyclobutenylidene (1) has a singlet ground state in contrast to the parent phenylcarbene and many other simply substituted arylcarbenes. Calculations also predict that 1 should lie in a relatively deep potential well, while its triplet state is 14.5 kcal mol-1 higher in energy. However, attempts to observe 1 directly by photolysis of two different nitrogenous precursors were not successful. Irradiation of diazobenzocyclobutene (7) (λ > 534 nm or λ > 300 nm) or azibenzocyclobutene (10) (λ > 328 nm) in Ar matrixes at 10 K leads to the formation of the strained cycloalkyne 7-methylenecyclohepta-3,5-dien-1-yne (3). 13C-Labeled 3 was also prepared in a similar manner. There is very good agreement between experimental IR spectra and computationally derived harmonic vibrational frequencies for 3 and [13C]-3 and excellent agreement between observed and calculated isotopic shifts. Prolonged short-wavelength irradiation converts 3 into benzocyclobutadiene (5). Phenylacetylene (6) and benzocyclobutadiene dimer (11) were identified as products arising from flash vacuum pyrolysis of diazirine 10 at 500 °C.

Molecular structure and intramolecular motion of (E)-stilbenes in crystals. An interpretation of the unusually short ethylene bond

Crystal structures of (E)-2,2′-dimethylstilbene (2), (E)-2,2′4,4′-tetramethylstilbene (3), (E)-2,2′,5,5′-tetramethylstilbene (4), (E)-2,2′,4,4′,5,5′-hexamethylstilbene (5), and (E)-2,2′,3,3′-tetramethylstilbene (6) were determined at several temperatures

Thermal isomerization of benzocyclobutene

Thermolysis of benzocyclobutene 13CH2, 99percent gives styrene labeled in the β (48percent), ortho (30percent), α (14percent), meta (4percent), and para (4percent) positions.The major labels (β and ortho) are consistent with a mechanism involving interconversions of the isomeric tolylmethylenes and the methylcycloheptatrienes.This mechanism also involves interconversion of o-tolylmethylene with o-xylylene and p-tolylmethylene with p-xylylene.A minor mechanism produces 25percent of styrene.This mechanism involves cleavage of the aryl carbon to the methylene carbon bond in benzocyclobutene followed by hydrogen transfer to produce styrene.Thermolysis of p-xylylene produced from paracyclophane gives styrene (55percent), p-xylene (31percent), benzocyclobutene (4percent), benzene (4percent), and toluene (3percent).Thermolysis of metacyclophane gives styrene (18percent), p-xylene (25percent), m-xylene (3percent), benzocyclobutene (1percent), benzene (7percent), and toluene (22percent).