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4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3, with the CAS number 14202-49-4, is an isotopically labeled research compound that is utilized in various scientific studies and experiments. It is a derivative of toluene, an aromatic hydrocarbon, and is characterized by the presence of a deuterium atom (D3), which makes it a valuable tool for researchers in the field of chemistry and related disciplines.

14202-49-4

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14202-49-4 Usage

Uses

Used in Research and Development:
4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 is used as a research compound for various applications in the field of chemistry and related scientific disciplines. The presence of the deuterium atom allows researchers to study the compound's properties and behavior under different conditions, providing valuable insights into its structure and potential applications.
Used in Chemical Analysis:
In the field of chemical analysis, 4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 serves as a valuable tool for understanding the properties and behavior of isotopically labeled compounds. Its use in this context helps researchers to develop new methods and techniques for analyzing and identifying various chemical substances.
Used in Pharmaceutical Research:
4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 is also used in pharmaceutical research, where it can be employed to study the effects of isotopically labeled compounds on biological systems. This information can be crucial for the development of new drugs and therapies, as well as for understanding the mechanisms of action of existing medications.
Used in Environmental Studies:
In environmental studies, 4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 can be used to investigate the fate and transport of isotopically labeled compounds in the environment. This information can help researchers to better understand the behavior of these compounds in various ecosystems and to develop strategies for their safe and effective use.
Used in Material Science:
In the field of material science, 4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 can be employed to study the properties and behavior of isotopically labeled materials. This information can be used to develop new materials with improved performance characteristics, such as enhanced strength, durability, or resistance to environmental factors.
Overall, 4-METHOXYTOLUENE-ALPHA,ALPHA,ALPHA-D3 is a versatile and valuable research compound with a wide range of applications across various scientific disciplines. Its use in research and development, chemical analysis, pharmaceutical research, environmental studies, and material science highlights its importance in advancing our understanding of isotopically labeled compounds and their potential applications.

Check Digit Verification of cas no

The CAS Registry Mumber 14202-49-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,2,0 and 2 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 14202-49:
(7*1)+(6*4)+(5*2)+(4*0)+(3*2)+(2*4)+(1*9)=64
64 % 10 = 4
So 14202-49-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H16O/c1-7-3-5-8(9-2)6-4-7/h7-8H,3-6H2,1-2H3/i1D3

14202-49-4Relevant academic research and scientific papers

DEUTERATED BENZOPYRAN COMPOUND AND APPLICATION THEREOF

-

, (2015/03/18)

features as shown in Formula (I), or pharmaceutically acceptable salts or stereoisomers thereof, or prodrug molecules thereof. With excellent anti-inflammatory and analgesic effects and the capability to inhibit growth of tumor cells, such compounds are novel COX-2 selective inhibitors. The compounds and pharmaceutically acceptable salts thereof disclosed by the present application can be applied in preparing anti-inflammatory and analgesic drugs and drugs for treating or preventing tumors.

Deuterated Benzopyran Compounds and Application Thereof

-

, (2015/05/26)

The present invention discloses deuterated benzopyran compounds having structure features as shown in Formula (I), or pharmaceutically acceptable salts or stereoisomers thereof, or prodrug molecules thereof. With excellent anti-inflammatory and analgesic effects and the capability to inhibit growth of tumor cells, such compounds are novel COX-2 selective inhibitors. The compounds and pharmaceutically acceptable salts thereof disclosed by the present application can be applied in preparing anti-inflammatory and analgesic drugs and drugs for treating or preventing tumors.

Synthesis of deuterated benzopyran derivatives as selective COX-2 inhibitors with improved pharmacokinetic properties

Zhang, Yanmei,Tortorella, Micky D.,Wang, Yican,Liu, Jianqi,Tu, Zhengchao,Liu, Xiaorong,Bai, Yang,Wen, Dingsheng,Lu, Xin,Lu, Yongzhi,Talley, John J.

, p. 1162 - 1166 (2014/12/10)

We designed a series of specifically deuterated benzopyran analogues as new COX-2 inhibitors with the aim of improving their pharmacokinetic properties. As expected, the deuterated compounds retained potency and selectivity for COX-2. The new molecules possess improved pharmacokinetic profiles in rats compared to their nondeuterated congeners. Most importantly, the new compounds showed pharmacodynamic efficacy in several murine models of inflammation and pain. The benzopyran derivatives were separated into their enantiomers, and the activity was found to reside with the S-isomers. To streamline the synthesis of the desired S-isomers, an organocatalytic asymmetric domino oxa-Michael/aldol condensation reaction was developed for their preparation.

Side Chain Hydroxylation of Aromatic Compounds by Fungi. Part 4. Influence of the para Substituent on Kinetic Isotope Effects During Benzylic Hydroxylation by Mortierella isabellina

Holland, Herbert L.,Brown, Frances M.,Conn, Morgan

, p. 1651 - 1655 (2007/10/02)

The benzylic hydroxylation of a series of para-substituted toluenes by the fungus Mortierella isabellina has been studied by using CD3, CHD2, and CH2D methyl labelled substrates.Inter- and intramolecular primary and secondary deuterium kinetic isotope effect ratios have been determined: the intermolecular primary effects are maximal with strongly electron-withdrawing para substituents (R = CN and CF3), while the intramolecular primary effects are minimal for R = H but increase in instances where R is electron donating or withdrawing.These results are interpreted in terms of a dependence of the hydroxylation mechanism on the nature of the para substituent.

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