29559-27-1

Basic information

• Product Name: 1-Methyl-4-(nitromethyl)benzene
• Synonyms: 1-Methyl-4-(nitromethyl)benzene;1-Methyl-4-nitromethylbenzene
• CAS NO: 29559-27-1
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 0
• Mol File: 29559-27-1.mol
• Article Data: 23

Chemical Properties

• Melting Point: 11.5°C
• Boiling Point: 243.17°C (estimate)
• Appearance: /
• Density: 1.1234
• Refractive Index: 1.5278
• CAS DataBase Reference: 1-Methyl-4-(nitromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-4-(nitromethyl)benzene(29559-27-1)
• EPA Substance Registry System: 1-Methyl-4-(nitromethyl)benzene(29559-27-1)

Safety Data

• Hazardous Substances Data: 29559-27-1(Hazardous Substances Data)

Upstream product

• 106-42-3 para-xylene 
• 54874-31-6 1,4-dimethyl-c-4-nitrocyclohexa-2,5-dien-r-1-yl acetate 
• 104-81-4 4-Methylbenzyl bromide 
• 2947-61-7 (4-methylphenyl)acetonitrile 
• 1355333-01-5 ethyl 2-nitro-2-(p-tolyl)acetate 
• 3235-02-7 p-methylbenzaldehyde oxime 
• 1663-39-4 tert-Butyl acrylate 
• 75-52-5 nitromethane 
• 106-38-7 para-bromotoluene 
• 18137-96-7 nitromethane anion 
• 937-21-3 4-methylperbenzoic acid 

Downstream Products

• 91013-15-9 2-nitro-2-p-tolyl-propane-1,3-diol 
• 1588-49-4 4,4'-dimethylstilbene 
• 108695-61-0 4-methyl-α-nitro-stilbene 
• 67307-11-3 (4-methyl-α-nitro-benzylidene)-phenyl-hydrazine 
• 53847-51-1 dimethyl 3-(4'-methylphenyl)isoxazole-4,5-dicarboxylate 
• 29329-38-2 5-phenyl-3-(p-tolyl)isoxazole 
• 26218-73-5 3,4-bis(4-methylphenyl)-1,2,5-oxadiazole-N-oxide 
• 84768-37-6 5-benzoyl-6-phenyl-3-p-tolyl-4H-1,2,4-oxadiazine 
• 16112-20-2 3,5-di(4′-methylphenyl)isoxazole 
• 84655-39-0 (3,6-Di-p-tolyl-4H-[1,2,4]oxadiazin-5-yl)-phenyl-methanone 
• 84861-02-9 5-p-toluoyl-3,6-di-p-tolyl-4H-1,2,4-oxadiazine 
• 81798-05-2 [5-(4-Methyl-benzoyl)-2,4-di-p-tolyl-1H-pyrrol-3-yl]-p-tolyl-methanone 
• 144309-86-4 N-<(methylcarbamoyl)methyl>-N-<5-(3-tolyl)-<1,2,4>oxadiazoyl>benzamidoxime 
• 104-87-0 4-methyl-benzaldehyde 

Relevant articles and documents

Radical reactions in aqueous solution: use of the aci-anion of nitromethane as a spin trap

The type of radical detected by esr when first-formed short-lived radicals are generated by photolytic, radiolytic, or flow techniques in the presence of nitromethane is shown to depend upon the nature and structure of the transient radical and on the pH.Thus electron-donating radicals may react with CH3NO2 itself under certain conditions to give rise to CH3NO2-. and the alkoxy nitroxides CH3N(OR)O..At higher pH, a wide variety of radicals (X) react very readily with the aci-anion CH2:NO2- to give adducts XCH2NO2-. (and, from radicals capable of one-electron transfer, O2NCH2CH2NO2-.).Structural characteristics of adducts XCH2N O2-. are described and it is shown how radicals which are normally undetectable in fluid solution can be trapped and recognized in this way.Mechanistic pathways diagnosed with this trap (involving, e.g. alkoxyl radicals, aroyloxy radicals, aromatic carboxylate cation-radicals) are exemplified.

Broadening antifungal spectrum and improving metabolic stablity based on a scaffold strategy: Design, synthesis, and evaluation of novel 4-phenyl-4,5-dihydrooxazole derivatives as potent fungistatic and fungicidal reagents

5-phenylthiophene derivatives exhibited excellent antifungal activity against Candida albicans, Candida tropicalis and Cryptococcus neoformans. However, optimal compound 7 was inactive against Aspergillus fumigatus and unstable in human liver microsomes in vitro with a half-life of 18.6 min. To discover antifungal agents with a broad spectrum and improve the metabolic properties of the compounds, the scaffold hopping strategy was adopted and a series of 4-phenyl-4,5-dihydrooxazole derivatives were designed and synthesized. It was especially encouraging that compound 22a displayed significant antifungal activities against eight susceptible strains and seven FLC-resistant strains. Furthermore, the potent compound 22a could prevent the formation of fungalbiofilms and displayed satisfactory fungicidal activity. In addition, the metabolic stability of compound 22a was improved significantly, with the half-life of 70.5 min. Compound 22a was almost nontoxic to mammalian A549, MCF-7, HepG2, and 293T cells. Moreover, pharmacokinetic studies in SD rats showed that compound 22a exhibited pharmacokinetic properties with a bioavailability of 15.22% and a half-life of 4.44 h, indicating that compound 22a is worthy of further study.

Thianthrenation-enabled α-arylation of carbonyl compounds with arenes

The Pd-catalyzed α-arylation of carbonyl compounds with simple arenes enabled by site-selective thianthrenation has been demonstrated. This onepot process using thianthrenium salts as the traceless arylating reagents features mild conditions and a broad substrate scope. In addition, this protocol could also tolerate the heterocyclic carbonyl compounds and complex bioactive molecules, which is appealing for medicinal chemistry.