94651-33-9 Usage
Description
2-(TRIFLUOROMETHOXY)BENZALDEHYDE is an organic compound that features a benzene ring with a formyl group (CHO) at the 2-position and a trifluoromethoxy group attached to the same carbon atom. This molecule is characterized by its unique combination of electron-withdrawing trifluoromethyl and hydroxyl groups, which can influence its reactivity and properties in various chemical reactions.
Uses
Used in Pharmaceutical Synthesis:
2-(TRIFLUOROMETHOXY)BENZALDEHYDE is used as a key intermediate in the synthesis of pharmaceutical compounds. Its specific structure allows it to participate in a variety of organic reactions, making it a valuable building block for the development of new drugs.
Specifically, it is used in the synthesis of tert-butyl N-[4-chloro-2-[α-hydroxy-α-2-(trifluoromethoxy)phenyl]]carbamate, which is a compound that may have potential applications in medicine. The trifluoromethoxy and hydroxyl groups on the benzene ring of 2-(TRIFLUOROMETHOXY)BENZALDEHYDE can be further functionalized or serve as points of attachment for other molecular fragments, contributing to the diversity of pharmaceutical agents that can be created from this intermediate.
While the provided materials do not detail the specific applications of the final product synthesized using 2-(TRIFLUOROMETHOXY)BENZALDEHYDE, its role in the synthesis of complex organic molecules suggests that it could be involved in the development of a wide range of pharmaceuticals, potentially targeting various therapeutic areas.
Check Digit Verification of cas no
The CAS Registry Mumber 94651-33-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,6,5 and 1 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 94651-33:
(7*9)+(6*4)+(5*6)+(4*5)+(3*1)+(2*3)+(1*3)=149
149 % 10 = 9
So 94651-33-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
94651-33-9Relevant articles and documents
Radical C?H Trifluoromethoxylation of (Hetero)arenes with Bis(trifluoromethyl)peroxide
Dix, Stefan,Golz, Paul,Schmid, Jonas R.,Riedel, Sebastian,Hopkinson, Matthew N.
supporting information, p. 11554 - 11558 (2021/07/09)
Trifluoromethoxylated (hetero)arenes are of great interest for several disciplines, especially in agro- and medicinal chemistry. Radical C?H trifluoromethoxylation of (hetero)arenes represents an attractive approach to prepare such compounds, but the high cost and low atom economy of existing .OCF3 radical sources make them unsuitable for the large-scale synthesis of trifluoromethoxylated building blocks. Herein, we introduce bis(trifluoromethyl)peroxide (BTMP, CF3OOCF3) as a practical and efficient trifluoromethoxylating reagent that is easily accessible from inexpensive bulk chemicals. Using either visible light photoredox or TEMPO catalysis, trifluoromethoxylated arenes could be prepared in good yields under mild conditions directly from unactivated aromatics. Moreover, TEMPO catalysis allowed for the one-step synthesis of valuable pyridine derivatives, which have been previously prepared via multi-step approaches.
Radical Trifluoromethoxylation of Arenes Triggered by a Visible-Light-Mediated N?O Bond Redox Fragmentation
Jelier, Benson J.,Tripet, Pascal F.,Pietrasiak, Ewa,Franzoni, Ivan,Jeschke, Gunnar,Togni, Antonio
supporting information, p. 13784 - 13789 (2018/09/14)
A simple trifluoromethoxylation method enables non-directed functionalization of C?H bonds on a range of substrates, providing access to aryl trifluoromethyl ethers. This light-driven process is distinctly different from conventional procedures and occurs through an OCF3 radical mechanism mediated by a photoredox catalyst, which triggers an N?O bond fragmentation. The pyridinium-based trifluoromethoxylation reagent is bench-stable and provides access to synthetic diversity in lead compounds in an operationally simple manner.