16002-59-8

Basic information

• Product Name: Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl
• CAS NO: 16002-59-8
• Molecular Formula: C9H11NO4
• Molecular Weight: 197.191
• Mol File: 16002-59-8.mol

Chemical Properties

• CAS DataBase Reference: Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl(CAS DataBase Reference)
• NIST Chemistry Reference: Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl(16002-59-8)
• EPA Substance Registry System: Hydroperoxide, 1-methyl-1-(4-nitrophenyl)ethyl(16002-59-8)

Safety Data

• Hazardous Substances Data: 16002-59-8(Hazardous Substances Data)

Upstream product

• 1817-47-6 4-nitrocumene 

Downstream Products

• 101793-90-2 4-methyl-2,4-bis-(4-nitro-phenyl)-pent-2ξ-ene 
• 22357-57-9 2-(4-nitrophenyl)propan-2-ol 
• 108477-93-6 (1-methyl-6,8-dinitro-1,2-dihydro-[2]quinolyl)-[1-methyl-1-(4-nitro-phenyl)-ethyl]-peroxide 
• 100-19-6 (4-nitrophenyl)ethanone 

Relevant articles and documents

Efficient and selective oxidation of tertiary benzylic C[sbnd]H bonds with O2 catalyzed by metalloporphyrins under mild and solvent-free conditions

The direct and efficient oxidation of tertiary benzylic C[sbnd]H bonds to alcohols with O2 was accomplished in the presence of metalloporphyrins as catalysts under solvent-free and additive-free conditions. Based on effective inhibition on the unselective autoxidation and deep oxidation, systematical investigation on the effects of porphyrin ligands and metal centers, and apparent kinetics study, the oxidation system employing porphyrin manganese(II) (T(2,3,6-triCl)PPMn) with bulkier substituents as catalyst, was regarded as the most promising and efficient one. For the typical substrate, the conversion of cumene could reach up to 57.6% with the selectivity of 70.5% toward alcohol, both of them being higher than the current documents under similar conditions. The superiority of T(2,3,6-triCl)PPMn was mainly attributed to its bulkier substituent groups preventing metalloporphyrins from oxidative degradation, its planar structure favoring the interaction between central metal with reactants, and the high efficiency of Mn(II) in the catalytic transformation of hydroperoxides to alcohols.

Method for synthesizing tertiary alcohol by catalytically oxidizing benzyl tertiary C-H bonds of aromatic hydrocarbon through metalloporphyrin

The invention discloses a method for synthesizing tertiary alcohol by catalytically oxidizing benzyl tertiary C-H bonds of aromatic hydrocarbon through metalloporphyrin. The method comprises the following steps: dispersing metalloporphyrin (1*10-1%, mol/mol) into aromatic hydrocarbon; sealing the reaction system, heating to 40-120 DEG C while stirring, introducing an oxidant (0.10-1.0 MPa), keeping the set temperature and pressure, carrying out reactions for 3.0-24.0 hours under stirring, and carrying out after-treatment on the reaction solution to obtain the product aromatic benzyl tertiary alcohol. The method has the advantages of shortest conversion path, highest atom economy, lower reaction temperature, lower environmental influence and the like, and the selectivity of aromatic benzyl tertiary alcohol is high. In addition, the content of aromatic hydrocarbon hydroperoxide is low, and the safety coefficient is high. The invention provides an efficient, feasible and safe method for synthesizing aromatic benzyl tertiary alcohol through selective catalytic oxidation of benzyl tertiary C-H bonds of aromatic hydrocarbon.

Method for selectively oxidizing cumene compounds

The invention relates to a method for selectively oxidizing cumene compounds, and the method comprises the following steps: placing cumene compounds shown in a formula (I), an iron porphyrin catalyst,an oxidant and a dispersant into a ball milling tank, sealing the ball milling tank, performing ball milling for 3 to 24 hours at a rotating speed of 100 to 800 rpm at room temperature, stopping ballmilling once every 1 to 3 hours in the ball milling process, discharging gases in the ball milling tank, finishing the reaction, and performing post-treatment on a reaction mixture to obtain product2-phenyl-2-propanol compound shown in a formula (II); according to the invention, the oxidation conversion of the cumene and derivatives thereof is realized through solid-phase ball milling, the reaction mode is novel, the operation is convenient, and the energy consumption is low; the method needs no organic solvent, thus effectively avoiding the use of toxic and harmful organic solvents and being green and environment-friendly; has low peroxide content and high safety factor, and high 2-phenyl-2-propanol and derivative selectivity and meets the social requirements of the current green chemical process, environmental compatibility chemical process and biological compatibility chemical process.