2423-71-4 Usage
Description
2,6-DIMETHYL-4-NITROPHENOL is an orange crystalline powder that is a useful compound for various applications, particularly in the production and characterization of bio-oil from hardwood and softwood lignin. It is also utilized in the study of binding requirements for certain substrates and as an internal standard in the determination of specific compounds in human urine.
Uses
Used in Bio-oil Production:
2,6-DIMETHYL-4-NITROPHENOL is used as a production compound for the creation of bio-oil from hardwood and softwood lignin. Its role in this process aids in the efficient conversion of lignin into a valuable energy source.
Used in Binding Studies:
2,6-DIMETHYL-4-NITROPHENOL is used as a study compound to investigate the disposition requirement for binding of p-nitrophenol and sodium p-nitrophenolate-like substrates with cyclohexaamylaose. This application helps in understanding the interaction between these substrates and the cyclohexaamylaose, which can be crucial for various chemical and biological processes.
Used in Analytical Chemistry:
In the field of analytical chemistry, 2,6-DIMETHYL-4-NITROPHENOL is used as an internal standard in the determination of 4-nitrophenol and 3-methyl-4-nitrophenol in human urine by liquid chromatography combined with tandem mass spectrometry. Its use as an internal standard ensures accurate and reliable measurements of these compounds in urine samples, which can be significant for medical and toxicological assessments.
Check Digit Verification of cas no
The CAS Registry Mumber 2423-71-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,2 and 3 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 2423-71:
(6*2)+(5*4)+(4*2)+(3*3)+(2*7)+(1*1)=64
64 % 10 = 4
So 2423-71-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3/p-1
2423-71-4Relevant articles and documents
Clemo
, p. 5845,5846 (1970)
Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Br?nsted Acidic NO2+ Generation
Juárez-Ornelas, Kevin A.,Jiménez-Halla, J. Oscar C.,Kato, Terumasa,Solorio-Alvarado, César R.,Maruoka, Keiji
supporting information, p. 1315 - 1319 (2019/03/07)
The first catalytic procedure for the electrophilic nitration of phenols was developed using iodosylbenzene as an organocatalyst based on iodine(III) and aluminum nitrate as a nitro group source. This atom-economic protocol occurs under mild, non-Br?nsted acidic and open-flask reaction conditions with a broad functional-group tolerance including several heterocycles. Density functional theory (DFT) calculations at the (SMD:MeCN)Mo8-HX/(LANLo8+f,6-311+G) level indicated that the reaction proceeds through a cationic pathway that efficiently generates the NO2+ ion, which is the nitrating species under neutral conditions.
Nitration of phenolic compounds and oxidation of hydroquinones using tetrabutylammonium chromate and dichromate under aprotic conditions
Pourali, Ali Reza,Goli, Arezou
scheme or table, p. 63 - 67 (2012/01/13)
In this work, we have reported a mild, efficient and selective method for the mononitration of phenolic compounds using sodium nitrite in the presence of tetrabutylammonium dichromate (TBAD) and oxidation of hydroquinones to quinones with TBAD in CH2Cl2. Using this method, high yields of nitrophenols and quinones were obtained under neutral aprotic conditions. Tetrabutylammonium chromate (TBAC) can also be used as oxidant at same conditions. Indian Academy of Sciences.