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Methyl 5-Methyl-2-Nitrobenzoate is a chemical compound characterized by the molecular formula C9H9NO4. It is a yellow crystalline solid that serves as a versatile intermediate in the synthesis of pharmaceuticals, dyes, and other organic compounds. As a nitrobenzoate ester, it features a nitro group (-NO2) and a methyl ester group (-COOCH3) attached to a benzene ring, which endows it with unique chemical properties suitable for a variety of reactions and applications. However, due to potential health hazards, it is crucial to handle Methyl 5-Methyl-2-Nitrobenzoate with proper care and safety measures.

20587-30-8

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20587-30-8 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 5-Methyl-2-Nitrobenzoate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Dye Industry:
In the dye industry, Methyl 5-Methyl-2-Nitrobenzoate is utilized as a precursor for the production of different types of dyes. Its chemical properties contribute to the creation of dyes with specific color characteristics and stability.
Used in Organic Chemistry:
Methyl 5-Methyl-2-Nitrobenzoate is employed as a versatile reagent in organic chemistry for a wide range of chemical reactions. Its nitro and ester functional groups make it suitable for various synthetic pathways and the formation of diverse organic compounds.
Used in Research and Development:
In research and development, Methyl 5-Methyl-2-Nitrobenzoate is used as a model compound to study chemical reactions and mechanisms. Its unique structure provides insights into the behavior of nitrobenzoate esters in various chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 20587-30-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,5,8 and 7 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 20587-30:
(7*2)+(6*0)+(5*5)+(4*8)+(3*7)+(2*3)+(1*0)=98
98 % 10 = 8
So 20587-30-8 is a valid CAS Registry Number.

20587-30-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-methyl-2-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 3-(Ethoxycarbonyl)-4-nitrotoluene

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:20587-30-8 SDS

20587-30-8Downstream Products

20587-30-8Relevant academic research and scientific papers

Discovery and Structure-Activity Relationships of Quinazolinone-2-carboxamide Derivatives as Novel Orally Efficacious Antimalarials

Laleu, Beno?t,Akao, Yuichiro,Ochida, Atsuko,Duffy, Sandra,Lucantoni, Leonardo,Shackleford, David M.,Chen, Gong,Katneni, Kasiram,Chiu, Francis C. K.,White, Karen L.,Chen, Xue,Sturm, Angelika,Dechering, Koen J.,Crespo, Benigno,Sanz, Laura M.,Wang, Binglin,Wittlin, Sergio,Charman, Susan A.,Avery, Vicky M.,Cho, Nobuo,Kamaura, Masahiro

, p. 12582 - 12602 (2021/09/13)

A phenotypic high-throughput screen allowed discovery of quinazolinone-2-carboxamide derivatives as a novel antimalarial scaffold. Structure-activity relationship studies led to identification of a potent inhibitor 19f, 95-fold more potent than the origin

Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide

Sch?fer, Pascal M.,McKeown, Paul,Fuchs, Martin,Rittinghaus, Ruth D.,Hermann, Alina,Henkel, Johanna,Seidel, Sebastian,Roitzheim, Christoph,Ksiazkiewicz, Agnieszka N.,Hoffmann, Alexander,Pich, Andrij,Jones, Matthew D.,Herres-Pawlis, Sonja

, p. 6071 - 6082 (2019/05/17)

Non-toxic, highly active and robust complexes are the holy grail as ideal green catalysts for the polymerisation of biorenewable and biodegradable polylactide. Four new zinc guanidine complexes [ZnCl2(TMG4NMe2asme)], [ZnCl2(TMG5Clasme)], [ZnCl2(TMG5Measme)] and [ZnCl2(TMG5NMe2asme)] with different electron-donating and electron-withdrawing groups on the ligand's aromatic backbone have been synthesised. Ligands are derived from low-cost commercially available compounds and have been converted by a three- or four-step synthesis process into the desired ligand in good yields. The compounds have been fully characterised and tested in the ROP of rac-LA under industrially relevant conditions. The complexes are based on the recently published structure [ZnCl2(TMGasme)] which has shown high activity in the polymerisation of lactide at 150 °C. Different substituents in the para-position of the guanidine moiety significantly increase the polymerisation rate whereas positioning substituents in the meta-position causes no change in the reaction rate. With molecular weights over 71000 g mol-1 being achievable, the best system produces polymers for multiple industrial applications and its polymerisation rate approaches that of Sn(Oct)2. The robust systems are able to polymerise non-purified lactide. The initiation of the polymerisation is suggested to occur due to impurities in the monomer.

Anti-inflammatory agents

-

Page/Page column 137, (2016/02/05)

Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS

-

Paragraph 151, (2015/03/28)

The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

Synthetic approaches to natural antioxidant benzastatin E, F and G analogues

Le, Thanh Nguyen,Yang, Su Hui,Khadka, Daulat Bikram,Cho, Suk Hee,Zhao, Chao,Cho, Won-Jea

experimental part, p. 4309 - 4315 (2012/03/26)

For synthesis of benzastatin E, F and G analogues, the indole-2- carbaldehydes with or without substituents at C-5 position were prepared as key intermediates. Several synthetic attempts to achieve benzastatin E-G analogues were suggested using the indole-2-carbaldehyde intermediates.

PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION

-

Page/Page column 35, (2009/10/01)

A method for preparing a phenylalanine derivative having a quinazoline-dione ring represented by the following formula (1) or a pharmaceutically acceptable salt thereof, comprising the following steps (a), (b) and (c): (a) reacting an acyl phenylalanine d

Design, synthesis and identification of novel colchicine-derived immunosuppressant

Chang, Dong-Jo,Yoon, Eun-Young,Lee, Geon-Bong,Kim, Soon-Ok,Kim, Wan-Joo,Kim, Young-Myeong,Jung, Jong-Wha,An, Hongchan,Suh, Young-Ger

scheme or table, p. 4416 - 4420 (2010/04/05)

Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A.

Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay

Li, Jian,Chen, Jing,Gui, Chunshan,Zhang, Li,Qin, Yu,Xu, Qiang,Zhang, Jian,Liu, Hong,Shen, Xu,Jiang, Hualiang

, p. 2209 - 2224 (2007/10/03)

Cyclophilin A (CypA) is a member of cyclophilins, a family of the highly homologous peptidyl prolyl cis-trans isomerases (PPIases), which can bind to cyclosporin A (CsA). CypA plays critical roles in various biological processes, including protein folding, assembly, transportation, regulation of neuron growth, and HIV replication. The discovery of CypA inhibitor is now of a great special interest in the treatment of immunological disorders. In this study, a series of novel small molecular CypA inhibitors have been discovered by using structure-based virtual screening in conjunction with chemical synthesis and bioassay. The SPECS_1 database containing 85,000 small molecular compounds was searched by virtual screening against the crystal structure of human CypA. After SPR-based binding affinity assay, 15 compounds were found to show binding affinities to CypA at submicro-molar or micro-molar level (compounds 1-15). Seven compounds were selected as the starting point for the further structure modification in considering binding activity, synthesis difficulty, and structure similarity. We thus synthesized 40 new small molecular compounds (1-6, 15, 16a-q, 17a-d, and 18a-l), and four of which (compounds 16b, 16h, 16k, and 18g) showed high CypA PPIase inhibition activities with IC50s of 2.5-6.2 μM. Pharmacological assay indicated that these four compounds demonstrated somewhat inhibition activities against the proliferation of spleen cells.

N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT

-

Page 57, (2008/06/13)

The present invention relates to the compound presented by formula (I) (wherein all symbols in formula (I) are the same mean as the description shown in the specification.), mitocondorial benzogeazepin receptor (MBR) antagonist comprising the compound, the preventive and/or treatment medicine against diseases caused by stress of which an active ingredient is the compound. Since the compound represented by formula (I) has MBR antagonistic activity, and controls the production of neurosteroid, it is useful as the preventive and/or treatment medicine against diseases caused by stress.

Nonpeptide bradykinin antagonist analogs based on a model of a sterling-winthrop nonpeptide bradykinin antagonist overlapped with cyclic hexapeptide bradykinin antagonist peptides

Dankwardt, Sharon M.,Ferla, Steven,Krstenansky, John L.,Bhakta, Sunil,Ostrelich, Helene,Jarnagin, Kurt

, p. 1921 - 1926 (2007/10/03)

A proposed overlap between cyclic hexapeptide Bradykinin antagonists and nonpeptide Bradykinin antagonists is discussed. Structural variations on both the peptides and nonpeptides support the proposed overlap based on an increase or decrease in the biological activities of the antagonists.

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