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Methyl 3-methoxy-4-nitrobenzoate, a chemical compound with the molecular formula C9H9NO5, is a pale yellow solid characterized by a molecular weight of 211.17 g/mol. It serves as a crucial intermediate in the synthesis of various pharmaceuticals and organic compounds, and is also utilized as a research chemical in organic chemistry laboratories. Due to its skin and eye irritant properties, it is essential to handle Methyl 3-methoxy-4-nitrobenzoate with care and adhere to proper safety protocols to mitigate potential hazards.

5081-37-8

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5081-37-8 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-methoxy-4-nitrobenzoate is used as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its chemical structure allows for further functionalization and modification, making it a versatile building block in medicinal chemistry.
Used in Organic Chemistry Research:
As a research chemical, Methyl 3-methoxy-4-nitrobenzoate is employed in organic chemistry laboratories for the study of chemical reactions, mechanisms, and the development of novel synthetic methodologies. Its unique functional groups enable the exploration of various chemical transformations and the synthesis of complex organic molecules.
Used in Organic Compounds Synthesis:
Methyl 3-methoxy-4-nitrobenzoate is utilized as an intermediate in the synthesis of a wide range of organic compounds, including dyes, pigments, and other specialty chemicals. Its presence in these reactions allows for the creation of diverse chemical structures with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 5081-37-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,8 and 1 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5081-37:
(6*5)+(5*0)+(4*8)+(3*1)+(2*3)+(1*7)=78
78 % 10 = 8
So 5081-37-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3

5081-37-8 Well-known Company Product Price

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  • Alfa Aesar

  • (B23196)  Methyl 3-methoxy-4-nitrobenzoate, 98%   

  • 5081-37-8

  • 1g

  • 477.0CNY

  • Detail
  • Alfa Aesar

  • (B23196)  Methyl 3-methoxy-4-nitrobenzoate, 98%   

  • 5081-37-8

  • 5g

  • 1861.0CNY

  • Detail

5081-37-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-methoxy-4-nitrobenzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,5-methoxy-4-nitro-,methyl(ester)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5081-37-8 SDS

5081-37-8Relevant academic research and scientific papers

HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT

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Paragraph 0156-0158, (2021/12/07)

The present invention relates to a heteroaryl derivative and a pharmaceutical composition for the prevention or treatment of cancer comprising the same as an active ingredient, and a compound according to an aspect of the present invention, a stereoisomer

Total synthesis of inubosin B

Hamissa, Mohamed Farouk,Niederhafner, Petr,?afa?ík, Martin,Telus, Marta,Kolá?ová, Lenka,Koutná, Leah,?estáková, Hana,Sou?ek, Radko,?ebestík, Jaroslav

supporting information, (2020/12/02)

Inubosin B is the most active member of the acridine alkaloids isolated from Streptomyces sp. IFM 11440 culture. The inubosins initiate neuroregeneration via a neurogenine 2 pathway. In this work, we have described the total synthesis of inubosin B via two synthetic routes. The effects of various coupling, cyclization and reduction reactions are discussed including common pitfalls and side reactions. Reverse phase chromatography with TFA was crucial for the isolation of the product from aluminum ions present in the reduction media.

Efficient synthesis of NIR emitting bis[2-(2′-hydroxylphenyl)benzoxazole] derivative and its potential for imaging applications

Wang, Junfeng,Baumann, Hannah,Bi, Xiaoman,Shriver, Leah P.,Zhang, Zhaoda,Pang, Yi

, (2020/01/25)

Unassymetric bis[2-(2′-hydroxyphenylbenzoxole)] bis(HBO) derivatives with a DPA functionality for zinc binding have been developed with an efficient synthetic route, using the retrosynthetic analysis. Comparison of bis(HBO) derivatives with different substitution patterns allows us to verify and optimize their unique fluorescence properties. Upon binding zinc cation, bis(HBO) derivatives give a large fluorescence turn-on in both visible (λem ≈ 536 nm) and near-infrared (NIR) window (λem ≈ 746 nm). The probes are readily excitable by a 488 nm laser, making this series of compounds a suitable imaging tool for in vitro and in vivo study on a confocal microscope. The application of zinc binding-induced fluorescence turn-on is successfully demonstrated in cellular environments and thrombus imaging.

NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA

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Page/Page column 60-61, (2020/03/29)

The present invention relates to compounds having a structure of general formula (I), processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment of bacterial infections in humans and warm-blooded animals.

3-(Ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium cation: A green alternative to tert-butyl nitrite for synthesis of nitro-group-containing arenes and drugs at room temperature

Chaudhary, Renu,Natarajan, Palani,Rani, Neetu,Sakshi,Venugopalan, Paloth

supporting information, (2019/12/30)

Due to their remarkable properties, task-specific ionic liquids have turned out to be progressively popular over the last few years in the field of green organic synthesis. Herein, for the first time, we report that a new task-specific nitrite-based ionic liquid such as 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imides (TS-N-IL) derived from biodegradable ethyl nicotinate indeed acted as an efficient and eco-friendly reagent for the synthesis of highly valuable nitroaromatic compounds and drugs including nitroxynil, tolcapone, niclofolan, flutamide, niclosamide and nitrazepam. The bridging of an ionic liquid with nitrite group not only increases the yield and rate of direct C[sbnd]N bond formation reaction but also allows easy product separation and recyclability of a byproduct. Nonvolatile nature, easy synthesis, merely stoichiometric need and mildness are a portion of the extra focal points of TS-N-IL while contrasted with tert-butyl nitrite an outstanding and highly-flammable reagent utilized largely in organic synthesis.

SPIROCYCLIC INDOLONE POLYETHYLENE GLYCOL CARBONATE COMPOUND, COMPOSITION, PREPARATION METHOD AND USE THEREOF

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Paragraph 0034; 0035, (2019/06/27)

The present invention relates to a spirocyclic indolone polyethylene glycol carbonate compound, a composition thereof, a preparation method therefor, and a use thereof as an anticancer drug due to the antitumor activity thereof. The structural formula of the spirocyclic indolone polyethylene glycol carbonate compound is shown below. The compound has excellent tumor inhibitory activity, water solubility, low toxicity, and can be used for intravenous injection.

Diphenyl-aminopyrimidine compound for inhibiting kinase activity

-

Paragraph 0200; 0201; 0202; 0203; 0204; 0205, (2019/05/04)

The invention relates to a diphenyl-aminopyrimidine compound with an inhibiting function on protein tyrosine kinase, a pharmaceutical composition containing the diphenyl-aminopyrimidine compound, andpreparation and application of the diphenyl-aminopyrimidine compound, in particular to a compound shown as the formula (I) and pharmaceutically acceptable salt or crystal forms or prodrugs or metabolin or aquo-complex or solvate or isotope derivatives thereof, wherein R1, R2, R5, R6, R7, R8 and W are defined as the description. The compound can be used for treating ALK-mediated cancer related symptoms, such as non-small cell lung cancer or breast cancer or neural tumors or esophagus cancer or soft tissue cancer or lymphoma or leukemia. The formula is shown in the specification.

Spiroindolone polyethylene glycol carbonate compound, and compositions, preparation method and application thereof

-

Paragraph 0065-0068, (2018/04/03)

The invention relates to a spiroindolone polyethylene glycol carbonate compound, compositions and a preparation method thereof, and an application of the spiroindolone polyethylene glycol carbonate compound as an anticancer drug due to antitumor activity of the spiroindolone polyethylene glycol carbonate compound. The spiroindolone polyethylene glycol carbonate compound has a structural formula asdescribed in the specification, has excellent tumor suppressive activity, good water solubility and low toxicity, and can be used for intravenous injections.

Synthesis and Evaluation of N-Phenylpyrrolamides as DNA Gyrase B Inhibitors

Durcik, Martina,Tammela, P?ivi,Baran?oková, Michaela,Toma?i?, Tihomir,Ila?, Janez,Kikelj, Danijel,Zidar, Nace

supporting information, p. 186 - 198 (2018/02/06)

ATP-competitive inhibitors of DNA gyrase and topoisomerase IV are among the most interesting classes of antibacterial drugs that are unrepresented in the antibacterial pipeline. We developed 32 new N-phenylpyrrolamides and evaluated them against DNA gyrase and topoisomerase IV from E. coli and Staphylococcus aureus. Antibacterial activities were studied against Gram-positive and Gram-negative bacterial strains. The most potent compound displayed an IC50 of 47 nm against E. coli DNA gyrase, and a minimum inhibitory concentration (MIC) of 12.5 μm against the Gram-positive Enterococcus faecalis. Some compounds displayed good antibacterial activities against an efflux-pump-deficient E. coli strain (MIC=6.25 μm) and against wild-type E. coli in the presence of efflux pump inhibitor PAβN (MIC=3.13 μm). Here we describe new findings regarding the structure–activity relationships of N-phenylpyrrolamide DNA gyrase B inhibitors and investigate the factors that are important for the antibacterial activity of this class of compounds.

Synthesis of the γ-Secretase Modulator MK-8428

Miller, Steven P.,Morris, William J.,Orr, Robert K.,Eckert, Jeffrey,Milan, Jay,Maust, Mathew,Cowden, Cameron,Cui, Jian

, p. 2957 - 2964 (2017/03/23)

The synthesis of the γ-secretase modulator MK-8428 (1) is described. The synthesis is highlighted by an enzyme-catalyzed reaction to access 3,4,5-trifluoro-(S)-phenylglycine, a 1-pot activation/displacement/deprotection sequence to introduce the aminooxy functionality and a dehydrative intramolecular cyclization under mild conditions to form the oxadiazine heterocycle of 1. In situ reaction monitoring was employed to understand the deleterious role of water during the formation of a methanesulfonate ester in the 1-pot activation/displacement/deprotection sequence.

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