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METHYL-2METHYL-6-NITRO-BENZOATE, also known as 2-Methyl-6-nitrobenzoic Acid Methyl Ester, is an ester derivative of 2-Methyl-nitrobenzoic Acid (M325545), which is a derivative of Anthranilic Acid (A679220). It is an organic compound with potential applications in various industries.

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  • 61940-22-5 Structure
  • Basic information

    1. Product Name: METHYL-2METHYL-6-NITRO-BENZOATE
    2. Synonyms: METHYL-2METHYL-6-NITRO-BENZOATE ;Benzoic acid, 2-Methyl-6-nitro-, Methyl ester;2-Methyl-6-nitrobenzoic Acid Methyl Ester
    3. CAS NO:61940-22-5
    4. Molecular Formula: C9H9NO4
    5. Molecular Weight: 195.17206
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 61940-22-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 283.4°C at 760 mmHg
    3. Flash Point: 126.4°C
    4. Appearance: /
    5. Density: 1.255g/cm3
    6. Vapor Pressure: 0.00317mmHg at 25°C
    7. Refractive Index: 1.548
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: DCM, Methanol
    10. CAS DataBase Reference: METHYL-2METHYL-6-NITRO-BENZOATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL-2METHYL-6-NITRO-BENZOATE(61940-22-5)
    12. EPA Substance Registry System: METHYL-2METHYL-6-NITRO-BENZOATE(61940-22-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 61940-22-5(Hazardous Substances Data)

61940-22-5 Usage

Uses

Used in Pharmaceutical Industry:
METHYL-2METHYL-6-NITRO-BENZOATE is used as an intermediate in the synthesis of pharmaceutical compounds for the development of new drugs.
Used in Chemical Research:
METHYL-2METHYL-6-NITRO-BENZOATE is used as a research compound in chemical studies, enabling scientists to explore its properties and potential applications.
Used in Material Science:
METHYL-2METHYL-6-NITRO-BENZOATE can be used as a component in the development of new materials with specific properties, such as in polymers or coatings.

Check Digit Verification of cas no

The CAS Registry Mumber 61940-22-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,9,4 and 0 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 61940-22:
(7*6)+(6*1)+(5*9)+(4*4)+(3*0)+(2*2)+(1*2)=115
115 % 10 = 5
So 61940-22-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO4/c1-6-4-3-5-7(10(12)13)8(6)9(11)14-2/h3-5H,1-2H3

61940-22-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-methyl-6-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 2-methyl-6-nitro-benzoic acid 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:61940-22-5 SDS

61940-22-5Relevant articles and documents

CHEMICAL COMPOUNDS

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Paragraph 0570-0571, (2021/01/23)

The present disclosure describes novel compounds, or their pharmaceutically acceptable salts, pharmaceutical compositions containing them, and their medical uses. Compounds of the disclosure have activity as dual modulators of Janus kinase (JAK), alone, or in combination with one or more of an additional mechanism, including a tyrosine kinase, such as TrkA or Syk, and PDE4, and are useful in the in the treatment or control of inflammation, auto-immune diseases, cancer, and other disorders and indications where modulation of JAK would be desirable. Also described herein are methods of treating inflammation, auto-immune diseases, cancer, and other conditions susceptible to inhibition of JAK and PDE4 by administering a compound herein described.

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

NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF

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Paragraph 0202-0203, (2020/03/09)

The present disclosure relates to a novel piperidine-2,6-dione derivative and a use thereof and, more specifically, to a piperidine-2,6-dione derivative compound having a structure of a thalidomide analog. A compound of chemical formula 1 according to the present disclosure specifically binds with CRBN protein, and is involved in functions thereof. Therefore, the compound of the present disclosure can be favorably used in the prevention or treatment of leprosy, chronic graft versus host disease, an inflammatory disease, or cancer, which are caused by actions of CRBN protein.

Compound containing benzotriazinone structure, preparation method and application thereof, and herbicide

-

Paragraph 0123-0125, (2020/12/30)

The invention relates to the field of pesticide compounds, and discloses a compound containing a benzotriazinone structure, a preparation method and application thereof, and a herbicide, and the compound has a structure represented by a formula (I). The c

Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors

Chen, Qiong,Hao, Ge-Fei,He, Bo,Lin, Hong-Yan,Wu, Feng-Xu,Wu, Lei,Yang, Guang-Fu,Yang, Wen-Chao,Yu, Liang-Kun

, p. 5059 - 5067 (2020/05/20)

4-Hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) has been identified as one of the most significant targets in herbicide discovery for resistant weed control. In a continuing effort to discover potent novel HPPD inhibitors, we adopted a ring-expansion strategy to design a series of novel pyrazole-quinazoline-2,4-dione hybrids based on the previously discovered pyrazole-isoindoline-1,3-dione scaffold. One compound, 3-(2-chlorophenyl)-6-(5-hydroxy-1,3-dimethyl-1H-pyrazole-4-carbonyl)-1,5-dimethylquinazoline-2,4(1H,3H)-dione (9bj), displayed excellent potency against AtHPPD, with an IC50 value of 84 nM, which is approximately 16-fold more potent than pyrasulfotole (IC50 = 1359 nM) and 2.7-fold more potent than mesotrione (IC50 = 226 nM). Furthermore, the co-crystal structure of the AtHPPD-9bj complex (PDB ID 6LGT) was determined at a resolution of 1.75 ?. Similar to the existing HPPD inhibitors, compound 9bj formed a bidentate chelating interaction with the metal ion and a π-πstacking interaction with Phe381 and Phe424. In contrast, o-chlorophenyl at the N3 position of quinazoline-2,4-dione with a double conformation was surrounded by hydrophobic residues (Met335, Leu368, Leu427, Phe424, Phe392, and Phe381). Remarkably, the greenhouse assay indicated that most compounds displayed excellent herbicidal activity (complete inhibition) against at least one of the tested weeds at the application rate of 150 g of active ingredient (ai)/ha. Most promisingly, compounds 9aj and 9bi not only exhibited prominent weed control effects with a broad spectrum but also showed very good crop safety to cotton, peanuts, and corn at the dose of 150 g of ai/ha.

Methods and compositions using PDE4 inhibitors for the treatment and management of autoimmune and inflammatory diseases

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Page/Page column 28, (2016/05/02)

Methods of treating, preventing, or managing autoimmune inflammatory diseases and disorders including but not limited to spondylitis, juvenile rheumatoid arthritis, psoriasis, psoriatic arthritis, osteoarthritis, ankylosing spondylitis, and rheumatoid arthritis by the administration of phosphodiesterase 4 (PDE4) inhibitors in combination with other therapeutics are disclosed. Pharmaceutical compositions, dosage forms, and kits suitable for use in methods of the invention are also disclosed.

CONTROLLED RELEASE ORAL DOSAGE FORMS OF POORLY SOLUBLE DRUGS AND USES THEREOF

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Paragraph 0219, (2016/06/06)

Provided herein are controlled release oral dosage forms of poorly soluble drugs, methods of making the dosage forms, and methods of their use for the treatment of various diseases and/or disorders.

USE OF PDE4 INHIBITORS AND COMBINATIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS

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Paragraph 0116, (2016/02/16)

Methods of treating cystic fibrosis by administering a PDE4 inhibitor in combination with one or more cystic fibrosis transmembrane conductance regulator (CFTR) potentiators, including ivacaftor, and/or one or more CFTR correctors, including lumacaftor. Pharmaceutical compositions, dosage forms, and kits suitable for use in methods of the invention are also disclosed.

COMPOSITIONS AND METHODS FOR THE TREATMENT OF ATHEROSCLEROTIC CARDIOVASCULAR DISEASES WITH PDE4 MODULATORS

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Paragraph 0191, (2016/04/26)

Provided herein are methods of treating, preventing or managing atherosclerosis by administering a PDE4 modulator. Pharmaceutical compositions, dosage forms, and kits suitable for use in methods are also provided.

Double C(sp3)-H bond functionalization mediated by sequential hydride shift/cyclization process: Diastereoselective construction of polyheterocycles

Mori, Keiji,Kurihara, Kazuki,Yabe, Shinnosuke,Yamanaka, Masahiro,Akiyama, Takahiko

supporting information, p. 3744 - 3747 (2014/04/03)

Described herein are two novel types of double C(sp3)-H bond functionalizations triggered by a sequential hydride shift/cyclization process: (1) construction of a bicyclo[3.2.2]nonane skeleton by a [1,6]- and [1,5]-hydride shift sequence and (2) sequential [1,4]- and [1,5]-hydride shift mediated construction of a linear tricyclic skeleton.

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