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2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester is a fluorinated aromatic compound with a molecular formula C9H6F3O3. It is a methyl ester derivative of 2,4,5-trifluoro-3-methoxybenzoic acid, characterized by its strong electron-withdrawing properties due to the presence of three fluorine atoms attached to the benzene ring. This chemical is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals, making it a valuable intermediate in organic synthesis.

136897-64-8

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136897-64-8 Usage

Uses

Used in Pharmaceutical Industry:
2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to enhance the biological activity and pharmacokinetic properties of drug molecules. Its strong electron-withdrawing nature allows for the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical industry, 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester is used as a building block for the synthesis of crop protection products. Its electron-withdrawing properties can improve the pesticidal activity and selectivity of agrochemicals, leading to more effective and environmentally friendly solutions for crop protection.
Used in Specialty Chemicals Production:
2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester is used as a reagent in the production of specialty chemicals, where its unique properties can be leveraged to create novel compounds with specific applications in various industries, such as materials science, dyes, and coatings.
Used in Drug Development Research:
This chemical has potential applications in the development of new drugs, as its strong electron-withdrawing properties can be utilized to design and synthesize drug candidates with improved pharmacological properties, such as increased potency, selectivity, and reduced side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 136897-64-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,8,9 and 7 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 136897-64:
(8*1)+(7*3)+(6*6)+(5*8)+(4*9)+(3*7)+(2*6)+(1*4)=178
178 % 10 = 8
So 136897-64-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3

136897-64-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2,4,5-trifluoro-3-methoxybenzoate

1.2 Other means of identification

Product number -
Other names 2,4,5-Trifluoro-3-methoxy-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:136897-64-8 SDS

136897-64-8Relevant academic research and scientific papers

A prodrug approach toward the development of water soluble fluoroquinolones and structure-activity relationships of quinoline-3-carboxylic acids

Baker, William R.,Cai, Shaopei,Dimitroff, Martin,Fang, Liming,Huh, Kay K.,Ryckman, David R.,Shang, Xiao,Shawar, Ribhi M.,Therrien, Joseph H.

, p. 4693 - 4709 (2007/10/03)

A fluoroquinolone prodrug, PA2808, was prepared and shown to convert to the highly active parent drug PA2789. In vitro and in vivo activation of PA2808 by alkaline phosphatase was demonstrated using disk diffusion and rat lung infection models. The water solubility of PA2808 showed a marked increase compared to PA2789 over a pH range suitable for aerosol drug delivery. A total of 48 analogues based on PA2789 were prepared and screened against a panel of Gram-positive and Gram-negative pathogens. Incorporating a cyclopropane-fused pyrrolidine (amine g) at C-7 resulted in some of the most active analogues.

Process for the preparation of esters of aromatic carboxylic acids

-

, (2008/06/13)

The present invention relates to a process for the preparation of compounds of the formula (1) in which R1, R2, R3, R4 and R5 are identical or different and are hydrogen, a halogen, an alkyl or alkoxy

The Synthesis, Structure-Activity, and Structure-Side Effect Relationships of a Series of 8-Alkoxy- and 5-Amino-8-alkoxyquinolone Antibacterial Agents

Sanchez, Joseph P.,Gogliotti, Rocco D.,Domagala, John M.,Gracheck, Stephen J.,Huband, Michael D.,et al.

, p. 4478 - 4487 (2007/10/03)

A series of 1-cyclopropyl-6-fluoro-8-alkoxy (8-methoxy and 8-ethoxy)-quinoline-3-carboxylic acids and 1-cyclopropyl-5-amino-6-fluoro-8-alkoxyquinoline-3-carboxylic acids has been prepared and evaluated for antibacterial activity.In addition, they were also compared to quinolones with classic substitution at C8 (H, F, Cl) and the naphthyridine nucleus in a phototoxicity and mammalian cell cytotoxiciry assay.The series of 8-methoxyquinolones had antibacterial activity against Gram-positive, Gram-negative, and anaerobic bacteria equivalent to that most active 8-substituted compounds (8-F and 8-Cl).There was also a concomitant reduction in several of the potential side effects (i.e., phototoxicity and clonogenicity) compared to the most active quinolones with classic substitution at C-8.The 8-ethoxy derivatives had an even better safety profile but were significantly less active (2-3 dilutions) in the antibacterial assay.

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