146539-83-5

Basic information

• Product Name: 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE
• Synonyms: 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE
• CAS NO: 146539-83-5
• Molecular Formula: C₉H₇F₃O₂
• Molecular Weight: 204.15
• Product Categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;Phenyls & Phenyl-Het
• Mol File: 146539-83-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 85-89°C
• Boiling Point: 238℃
• Flash Point: 95℃
• Appearance: Light yellow powder
• Density: 1.287
• Vapor Pressure: 0.0446mmHg at 25°C
• Refractive Index: 1.475
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive: Air Sensitive
• CAS DataBase Reference: 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE(146539-83-5)
• EPA Substance Registry System: 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE(146539-83-5)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37
• Hazardous Substances Data: 146539-83-5(Hazardous Substances Data)

Usage

General Description

2-Methoxy-5-(trifluoromethyl)benzaldehyde is a chemical compound with the molecular formula C9H7F3O2. It is a white to light yellow solid with a strong, sweet, and fruity odor. 2-METHOXY-5-(TRIFLUOROMETHYL)BENZALDEHYDE is commonly used as a reagent in synthetic organic chemistry, particularly in the synthesis of pharmaceuticals and other complex molecules. It is also used as a flavoring agent in the food and beverage industry. Additionally, it is used in the production of other chemical compounds and as an intermediate in the manufacturing of dyes and perfumes. Overall, 2-Methoxy-5-(trifluoromethyl)benzaldehyde is a versatile and important chemical in various industries.

InChI:InChI=1/C9H7F3O2/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-5H,1H3

Upstream product

• 146137-78-2 2-fluoro-5-trifluoromethylbenzaldehyde 
• 828-27-3 4-Trifluoromethoxyphenol 
• 68-12-2 N,N-dimethyl-formamide 
• 135-02-4 ortho-anisaldehyde 
• 77152-08-0 trifluoromethylcopper(I) 
• 685126-89-0 (2-methoxy-5-(trifluoromethyl)phenyl)methanol 
• 402-45-9 4-hydroxybenzotrifluoride 
• 2591-86-8 N-Formylpiperidine 
• 402-52-8 methyl 4-(trifluoromethyl)phenyl ether 

Downstream Products

• 1338081-28-9 (Z)-4-(2-methoxy-5-(trifluoromethyl)benzylidene)-2-methyl-4H-oxazol-5-one 
• 1338081-30-3 (Z)-5-(2-hydroxy-5-(trifluoromethyl)benzylidene)-2,3-dimethyl-3,5-dihydroimidazol-4-one 
• 1338081-29-0 (Z)-5-(2-methoxy-5-(trifluoromethyl)benzylidene)-2,3-dimethyl-3,5-dihydroimidazol-4-one 

Relevant articles and documents

Aryl Sulfonium Salts for Site-Selective Late-Stage Trifluoromethylation

Incorporation of the CF3 group into arenes has found increasing importance in drug discovery. Herein, we report the first photoredox-catalyzed cross-coupling of aryl thianthrenium salts with a copper-based trifluoromethyl reagent, which enables a site-selective late-stage trifluoromethylation of arenes. The reaction proceeds with broad functional group tolerance, even for complex small molecules on gram scale. The method was further extended to produce pentafluoroethylated derivatives.

AZABICYCLIC AMINE DERIVATIVES AS NK-1 RECEPTOR ANTAGONISTS

The present invention relates compounds of the formula (I), wherein X represents hydrogen or a C1-4alkyl group optionally substituted by a hydroxy group; Y represents hydrogen, C1-6alkyl or C3-7cycloalkyl; Z is -CR9/

Substituent Control of Intramolecular Hydrogen Bonding in Formyl-Protonated o-Anisaldehydes: A Stable Ion and Semiempirical MO Investigation

o-Anisaldehyde and its 5-Br, 5-F, 5-CF3, 5-CN, 5-NO2, and 5-COMe derivatives are protonated at the formyl group in 1 : 1 SbF5-FSO3H/SO2 (or SO2ClF) to give persistent carboxonium ions as mixtures of Z and E geometrical isomers.The cyano, nitro, and acetyl substituents are also protonated, leading to dications and additional geometrical isomers in the nitro and acetyl cases.The carboxonium ions are predominantly in the Z,syn configuration, but with increased amounts of the E,anti configuration with increased electron withdrawal by the substituents.With 5-NO2H(+), Eisomers become more abundant than Z.The formyl protonated 2-(trifluoromethoxy)benzaldehyde shows a strong preference for the E configuration.The preference for the Z,syn form is attributed to intramolecular hydrogen bonding that becomes less favorable as electron density is withdrawn from the methoxyl oxygen.The log Z/E values correlate with differences in energy content of the isomers predicted in AM1 calculations, and the chemical shift of the hydroxyl proton of the carboxonium group correlates well with predicted charge on the proton.