81029-03-0 Usage
Description
2,3-DIMETHYL-4-NITROANISOLE is an organic compound that serves as a versatile intermediate in the synthesis of various pharmaceutical and chemical compounds. It is characterized by its methyl and nitro groups attached to the anisole structure, which contribute to its reactivity and potential applications in chemical reactions.
Uses
Used in Pharmaceutical Industry:
2,3-DIMETHYL-4-NITROANISOLE is used as a starting material for the synthesis of conformationally restricted derivatives of lavendustin A. These derivatives have potential applications in the development of new drugs and therapeutic agents, particularly in the treatment of various diseases and disorders.
Used in Chemical Synthesis:
2,3-DIMETHYL-4-NITROANISOLE is also used in the synthesis of 1,4-piperazin-2,5-diones. These compounds are important building blocks in the production of various pharmaceuticals, agrochemicals, and other specialty chemicals. The versatility of 2,3-DIMETHYL-4-NITROANISOLE as a starting material allows for the creation of a wide range of products with diverse applications across different industries.
Check Digit Verification of cas no
The CAS Registry Mumber 81029-03-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,0,2 and 9 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 81029-03:
(7*8)+(6*1)+(5*0)+(4*2)+(3*9)+(2*0)+(1*3)=100
100 % 10 = 0
So 81029-03-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
81029-03-0Relevant articles and documents
A switchable oxidation process leading to two various versatile pharmaceutical intermediates
Occhipinti, Giovanni,Liguori, Lucia,Tsoukala, Anna,Bjorsvik, Hans-Rene
supporting information; experimental part, p. 1379 - 1384 (2011/09/20)
An efficient high-yielding and environmentally benign switchable oxidation process that can selectively produce two different versatile synthetic intermediates is disclosed. One of the two intermediates, 2,3-dimethoxy-5- methylcyclohexa-2,5-diene-1,4-dione (coenzyme Q0), is obtained by means of a telescoped two-step synthetic protocol that in the first step involves treatment of the substrate (1,2,3-trimethoxy-5-methylbenzene) with hydrogen peroxide in acetic acid with p-toluene sulphonic acid present as a Bronsted acid catalyst, succeeded by a telescoped second step that entails treatment with fuming nitric acid to achieve the target molecule in an excellent isolated yield (88%). If the substrate is treated directly with nitric acid (65%) in glacial acetic acid two different products can be obtained, namely acetic acid 3,4,5-trimethoxybenzyl ester in a superb isolated yield (93%) or, under slightly altered reaction conditions, 1,2,3-trimethoxy-5- (nitromethyl)benzene in a moderate to low yield (35%) and low selectivity. The two pathways leading to the two different products in the nitric acid oxidation protocol were investigated by means of DFT calculations as an aid to elaborate a proposal for the reaction mechanism.
