Cas no 1214353-19-1 (Methyl 3-chloro-2-(trifluoromethyl)benzoate)

Methyl 3-chloro-2-(trifluoromethyl)benzoate is a fluorinated aromatic ester with significant utility in organic synthesis and pharmaceutical intermediates. Its structure, featuring both chloro and trifluoromethyl substituents, enhances reactivity and selectivity in cross-coupling reactions and nucleophilic substitutions. The trifluoromethyl group imparts electron-withdrawing properties, improving stability and facilitating further functionalization. This compound is particularly valuable in agrochemical and medicinal chemistry, where its derivatives are explored for bioactive applications. High purity grades ensure consistent performance in research and industrial processes. Its compatibility with various reaction conditions makes it a versatile building block for constructing complex molecules. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
Methyl 3-chloro-2-(trifluoromethyl)benzoate structure
1214353-19-1 structure
Product Name:Methyl 3-chloro-2-(trifluoromethyl)benzoate
CAS No:1214353-19-1
MF:C9H6ClF3O2
MW:238.590952396393
CID:2162429
PubChem ID:46311107
Update Time:2025-10-23

Methyl 3-chloro-2-(trifluoromethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-chloro-2-(trifluoromethyl)benzoate
    • G89502
    • 1214353-19-1
    • DB-243689
    • Inchi: 1S/C9H6ClF3O2/c1-15-8(14)5-3-2-4-6(10)7(5)9(11,12)13/h2-4H,1H3
    • InChI Key: NAUJNZBGZMDRJY-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(C(=O)OC)=C1C(F)(F)F

Computed Properties

  • Exact Mass: 238.0008416g/mol
  • Monoisotopic Mass: 238.0008416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 3.3

Methyl 3-chloro-2-(trifluoromethyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015008168-250mg
Methyl 3-chloro-2-(trifluoromethyl)benzoate
1214353-19-1 97%
250mg
$504.00 2023-09-04
Alichem
A015008168-500mg
Methyl 3-chloro-2-(trifluoromethyl)benzoate
1214353-19-1 97%
500mg
$847.60 2023-09-04
Alichem
A015008168-1g
Methyl 3-chloro-2-(trifluoromethyl)benzoate
1214353-19-1 97%
1g
$1445.30 2023-09-04

Additional information on Methyl 3-chloro-2-(trifluoromethyl)benzoate

Methyl 3-chloro-2-(trifluoromethyl)benzoate: A Comprehensive Overview

Methyl 3-chloro-2-(trifluoromethyl)benzoate, with the CAS number 1214353-19-1, is a highly specialized organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and agrochemical development. This compound is characterized by its unique structure, which includes a benzoate ester group, a trifluoromethyl substituent, and a chlorine atom. The combination of these functional groups imparts distinctive chemical properties, making it a valuable intermediate in various synthetic processes.

Recent advancements in synthetic chemistry have highlighted the versatility of Methyl 3-chloro-2-(trifluoromethyl)benzoate as a key intermediate in the construction of bioactive molecules. Researchers have demonstrated its utility in the synthesis of complex heterocycles, which are pivotal in drug discovery. For instance, studies published in leading journals such as *Journal of Medicinal Chemistry* and *Organic Letters* have shown that this compound can serve as a precursor for the development of potential antiviral and anticancer agents. Its ability to undergo various coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig reactions, further underscores its importance in modern organic synthesis.

The trifluoromethyl group attached to the aromatic ring plays a crucial role in modulating the electronic properties of the molecule. This substitution pattern enhances the compound's stability and reactivity under specific reaction conditions. Moreover, the methyl ester group facilitates easy functionalization, enabling chemists to introduce diverse substituents for tailored applications. Recent studies have also explored the use of Methyl 3-chloro-2-(trifluoromethyl)benzoate in click chemistry, where it serves as a versatile building block for constructing macrocyclic structures with potential applications in materials science.

In terms of pharmacological applications, Methyl 3-chloro-2-(trifluoromethyl)benzoate has shown promise as a lead compound for developing drugs targeting specific biological pathways. Its ability to inhibit certain enzymes involved in inflammatory processes has been reported in preclinical studies. Furthermore, its trifluoromethyl group contributes to improved pharmacokinetic properties, such as enhanced bioavailability and reduced metabolism, making it an attractive candidate for drug development.

From an environmental perspective, researchers have investigated the degradation pathways of Methyl 3-chloro-2-(trifluoromethyl)benzoate under various conditions. Studies indicate that this compound exhibits moderate persistence in aqueous environments, raising concerns about its potential ecological impact. However, ongoing research aims to develop sustainable synthesis methods and degradation techniques to mitigate these environmental risks.

In conclusion, Methyl 3-chloro-2-(trifluoromethyl)benzoate (CAS No: 1214353-19-1) stands out as a multifaceted compound with significant implications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in organic synthesis, while its pharmacological and environmental profiles highlight its potential and challenges for real-world applications. As research continues to uncover new avenues for its use, this compound is poised to play an increasingly important role in advancing scientific and technological frontiers.

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