57330-58-2

Basic information

• Product Name: 1-(2-Nitro-4-trifluoroMethyl-phenyl)-propan-2-one
• Synonyms: 1-(2-Nitro-4-trifluoroMethyl-phenyl)-propan-2-one
• CAS NO: 57330-58-2
• Molecular Formula: C₁₀H₈F₃NO₃
• Molecular Weight: 247.1706296
• Mol File: 57330-58-2.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-(2-Nitro-4-trifluoroMethyl-phenyl)-propan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-Nitro-4-trifluoroMethyl-phenyl)-propan-2-one(57330-58-2)
• EPA Substance Registry System: 1-(2-Nitro-4-trifluoroMethyl-phenyl)-propan-2-one(57330-58-2)

Safety Data

• Hazardous Substances Data: 57330-58-2(Hazardous Substances Data)

Upstream product

• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 213697-53-1 DavePhos 
• 108-95-2 phenol 
• 123-42-2 4-Hydroxy-4-methyl-2-pentanone 
• 349-03-1 1-bromo-4-trifluoromethyl-2-nitrobenzene 
• 400-98-6 4-trifluoromethyl-2-nitroaniline 
• 108-22-5 Isopropenyl acetate 
• 67-64-1 acetone 
• 57330-56-0 3-(2'-Nitro-4'-trifluormethyl-phenyl)-2-methyl-2-chlor-propionsaeure 

Downstream Products

• 57330-48-0 2-methyl-6-(trifluoromethyl)-1H-indole 

Relevant articles and documents

Atroposelective Arene Formation by Carbene-Catalyzed Formal [4+2] Cycloaddition

Atroposelective arene formation is an efficient method to build axially chiral molecules with multi-substituted arenes. Reported here is an organocatalyzed atroposelective arene formation reaction by an N-heterocyclic carbene (NHC) catalyzed formal [4+2] cycloaddition of conjugated dienals and α-aryl ketones. This study expands the synthetic potential of NHC organocatalysis and provides a competitive pathway for the synthesis of axially chiral ligands, catalysts, and other functional molecules.

C-C Activation by Retro-Aldol Reaction of Two β-Hydroxy Carbonyl Compounds: Synergy with Pd-Catalyzed Cross-Coupling to Access Mono-α-arylated Ketones and Esters

A retro-aldol reaction of two β-hydroxy compounds in synergy with Pd-catalyzed cross-coupling of aryl halides is reported herein, which produces selectively mono-α-arylated ketones and esters in good yields. This reaction is compatible with a broad range of aryl iodides, bromides, chlorides, and triflates and can tolerate an array of functional groups on the aromatic ring. Ready scale-up of this reaction to gram level is applicable without an appreciable decrease in the reaction yield. Furthermore, concise syntheses of biologically active isocoumarin and indole derivatives have been achieved to greatly demonstrate the synthetic value of this retro-aldol reaction. Finally, the reaction mechanism has been discussed on the basis of experimental observations and DFT computational results. A regulated six-membered-ring transition structure has been located for the key retro-aldol C-C cleavage, which constitutes the rate-determining step of a full catalytic cycle. The concept of C-C activation by retro-aldol reaction may also find applications in other fundamental reactions.

A practical synthesis of α-aryl methyl ketones via a transition-metal-free Meerwein arylation

We report herein a simple, scalable, transition-metal-free approach to the synthesis of α-aryl methyl ketones from diazonium tetrafluoroborate salts under mild conditions. This methodology uses easily accessible and nontoxic starting material and was applied to the multi-kilogram-scale preparation of 1-(3-bromo-4-methylphenyl)propan-2-one.