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Methyl 4-fluoro-3-methylbenzoate is a chemical compound that falls under the category of aromatic esters. It is distinguished by the presence of a methyl group and a fluorine atom on a benzene ring, along with a methyl ester functional group that is attached to the ring. Methyl 4-fluoro-3-methylbenzoate is not naturally occurring and is synthesized in laboratories for a variety of applications within the chemical industry. Due to its reactivity, it is utilized in the production of different organic compounds. It is important to adhere to safety and handling procedures when working with Methyl 4-fluoro-3-methylbenzoate, as it can cause skin and eye irritation.

180636-50-4

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180636-50-4 Usage

Uses

Used in Chemical Industry:
Methyl 4-fluoro-3-methylbenzoate is used as a chemical intermediate for the synthesis of various organic compounds. Its unique structure and reactivity make it a valuable component in the creation of a range of chemical products.
Used in Pharmaceutical Industry:
Methyl 4-fluoro-3-methylbenzoate is used as a building block in the development of pharmaceuticals. Its specific chemical properties allow it to be incorporated into the structures of potential drug candidates, contributing to their overall efficacy and function.
Used in Agricultural Industry:
Methyl 4-fluoro-3-methylbenzoate is used as a precursor in the synthesis of agrochemicals. Its role in creating these compounds can lead to the development of new pesticides or herbicides that are more effective and environmentally friendly.
Used in Material Science:
Methyl 4-fluoro-3-methylbenzoate is used as a component in the development of new materials. Its incorporation into the molecular structure of these materials can enhance their properties, such as strength, flexibility, or resistance to certain conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 180636-50-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,0,6,3 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 180636-50:
(8*1)+(7*8)+(6*0)+(5*6)+(4*3)+(3*6)+(2*5)+(1*0)=134
134 % 10 = 4
So 180636-50-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H9FO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3

180636-50-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-fluoro-3-methylbenzoate

1.2 Other means of identification

Product number -
Other names 4-fluoro-3-methylbenzoic 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:180636-50-4 SDS

180636-50-4Relevant academic research and scientific papers

Sulfone-Based Probes Unraveled Dihydrolipoamide S-Succinyltransferase as an Unprecedented Target in Phytopathogens

Chen, Biao,Long, Qingsu,Zhao, Yongliang,Wu, Yuanyuan,Ge, Shasha,Wang, Peiyi,Yang, Cai-Guang,Chi, Yonggui,Song, Baoan,Yang, Song

, p. 6962 - 6969 (2019/07/04)

Target validation of current drugs remains the major challenge for target-based drug discovery, especially for agrochemical discovery. The bactericide 0 represents a novel lead structure and has shown potent efficacy against those diseases that are extremely difficult to control, such as rice bacterial leaf blight. However, no detailed target analysis of this bactericide has been reported. Here, we developed a panel of 0-derived probes 1?6, in which a conservative modification (alkyne tag) was introduced to keep the antibacterial activity of 0 and provide functionality for target identification via click chemistry. With these cell-permeable probes, we were able to discover dihydrolipoamide S-succinyltransferase (DLST) as an unprecedented target in living cells. The probes showed good preference for DLST, especially probe 1, which demonstrated distinct selectivity and reactivity. Also, we reported 0 as the first covalent DLST inhibitor, which has been used to confirm the involvement of DLST in the regulation of energy production.

A kind of detecting dihydrolipoic acid succinyl transferase molecular probe and its preparation and use

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Paragraph 0093; 0094, (2019/04/10)

The invention relates to a detecting dihydrolipoic acid succinyl transferase molecular probe and its preparation and use. The probe shown in formula I, its under low concentration can be effective detection in living cells of the dihydrolipoic acid succin

G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME

-

Paragraph 00103, (2016/03/19)

Disclosed herein are novel GRK2 inhibitors and methods for their use in treating or preventing heart disease, such as cardiac failure, cardiac hypertrophy, and hypertension. In particular, disclosed herein are compounds of Formula (I) and pharmaceutically

Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors

Waldschmidt, Helen V.,Homan, Kristoff T.,Cruz-Rodríguez, Osvaldo,Cato, Marilyn C.,Waninger-Saroni, Jessica,Larimore, Kelly M.,Cannavo, Alessandro,Song, Jianliang,Cheung, Joseph Y.,Kirchhoff, Paul D.,Koch, Walter J.,Tesmer, John J. G.,Larsen, Scott D.

, p. 3793 - 3807 (2016/05/24)

G protein-coupled receptors (GPCRs) are central to many physiological processes. Regulation of this superfamily of receptors is controlled by GPCR kinases (GRKs), some of which have been implicated in heart failure. GSK180736A, developed as a Rho-associated coiled-coil kinase 1 (ROCK1) inhibitor, was identified as an inhibitor of GRK2 and co-crystallized in the active site. Guided by its binding pose overlaid with the binding pose of a known potent GRK2 inhibitor, Takeda103A, a library of hybrid inhibitors was developed. This campaign produced several compounds possessing high potency and selectivity for GRK2 over other GRK subfamilies, PKA, and ROCK1. The most selective compound, 12n (CCG-224406), had an IC50 for GRK2 of 130 nM, >700-fold selectivity over other GRK subfamilies, and no detectable inhibition of ROCK1. Four of the new inhibitors were crystallized with GRK2 to give molecular insights into the binding and kinase selectivity of this class of inhibitors.

Metal-Catalyzed Carbon-Fluorine Bond Formation

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Page/Page column 17, (2011/02/18)

One aspect of the invention relates to a metal-catalyzed conversion of aryl halides and sulfonates to the corresponding aryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of heteroaryl halides and sulfonates to the corresponding heteroaryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of vinyl halides and sulfonates to the corresponding vinyl fluorides. In certain embodiments, simple fluoride sources, such as AgF and CsF, are used. In certain embodiments, the transformations tolerate a wide range of functional groups, allowing for introduction of fluorine atoms into highly functionalized organic molecules.

BIPHENYL CARBOXYLIC ACIDS AND BIOISOSTERES AS GLYCOGEN SYNTHASE ACTIVATORS

-

Page/Page column 10, (2011/06/10)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful

NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS

-

Page/Page column 18, (2011/06/24)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES

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Page/Page column 48, (2010/12/18)

The invention concerns compounds of Formula (I): wherein L1, R1, R2, R3, R4 and X are as defined in the description. The present invention also relates to processes for the preparation of such compoun

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.

PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS

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Page/Page column 116, (2009/06/27)

The present invention provides compounds of formula (I) wherein R 1, R2, R3 and R4 are as defined in the specification, and pharmaceutically acceptable salts thereof, as well as processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

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