Cas no 1261928-96-4 (Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate)
Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate
- 1261928-96-4
- 2-Chloro-4-(2-chloro-5-methoxycarbonylphenyl)phenol, 95%
- 2-CHLORO-4-(2-CHLORO-5-METHOXYCARBONYLPHENYL)PHENOL
- DTXSID90686170
- MFCD18315796
- Methyl 3',6-dichloro-4'-hydroxy[1,1'-biphenyl]-3-carboxylate
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- MDL: MFCD18315796
- Inchi: 1S/C14H10Cl2O3/c1-19-14(18)9-2-4-11(15)10(6-9)8-3-5-13(17)12(16)7-8/h2-7,17H,1H3
- InChI Key: HUHKDACIFJVWRL-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C(=O)OC)C=C1C1C=CC(=C(C=1)Cl)O
Computed Properties
- Exact Mass: 296.0006996g/mol
- Monoisotopic Mass: 296.0006996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 324
- 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
- XLogP3: 4.5
- Topological Polar Surface Area: 46.5?2
Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB322002-5 g |
2-Chloro-4-(2-chloro-5-methoxycarbonylphenyl)phenol, 95%; . |
1261928-96-4 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB322002-5g |
2-Chloro-4-(2-chloro-5-methoxycarbonylphenyl)phenol, 95%; . |
1261928-96-4 | 95% | 5g |
€1159.00 | 2025-04-21 |
Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Additional information on Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate
Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261928-96-4): A Comprehensive Overview
Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261928-96-4) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, characterized by its intricate molecular structure, has been extensively studied for its potential applications in drug development and molecular medicine. The presence of multiple functional groups, including chloro and hydroxyl substituents, makes it a versatile intermediate in the synthesis of more complex molecules.
The chemical structure of Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate consists of a benzoate core substituted with chloro and hydroxyl groups at specific positions. This arrangement imparts unique electronic and steric properties to the molecule, making it an attractive candidate for various chemical transformations. The benzoate moiety, in particular, is well-known for its role as a pharmacophore in numerous therapeutic agents, contributing to the compound's potential biological activity.
In recent years, the study of heterocyclic compounds has seen remarkable advancements, and Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate has emerged as a key intermediate in the synthesis of such derivatives. Researchers have been exploring its utility in the development of novel antimicrobial agents, anticancer drugs, and other therapeutic compounds. The chloro and hydroxyl groups on the benzene ring provide multiple sites for further functionalization, enabling the creation of a diverse array of derivatives with tailored properties.
One of the most compelling aspects of Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate is its role in the synthesis of biologically active molecules. For instance, recent studies have demonstrated its use in the preparation of inhibitors targeting specific enzymes involved in cancer progression. The compound's ability to act as a precursor for more complex structures has made it a valuable tool in medicinal chemistry. Additionally, its stability under various reaction conditions enhances its utility as an intermediate in multi-step synthetic pathways.
The pharmaceutical industry has been particularly interested in leveraging the structural features of Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate to develop new drugs. Its incorporation into drug candidates has shown promise in preclinical studies, where it exhibited favorable pharmacokinetic profiles. The compound's ability to interact with biological targets at both the molecular and cellular levels makes it a promising candidate for further investigation.
From a synthetic chemistry perspective, Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate offers a rich platform for exploring new methodologies and reactions. The presence of multiple reactive sites allows chemists to employ a wide range of transformations, including nucleophilic aromatic substitution, Suzuki-Miyaura coupling, and other cross-coupling reactions. These methods have been instrumental in generating novel derivatives with enhanced biological activity.
The growing interest in green chemistry has also influenced the research on Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate. Efforts have been made to develop synthetic routes that minimize waste and utilize sustainable reagents. Such approaches not only align with environmental concerns but also improve the efficiency of drug discovery processes. The compound's versatility makes it an ideal candidate for these efforts, as it can be synthesized using environmentally friendly methods without compromising yield or purity.
In conclusion, Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate (CAS No. 1261928-96-4) represents a significant advancement in pharmaceutical chemistry and bioorganic synthesis. Its unique molecular structure and functional groups make it a valuable intermediate for developing new drugs and therapeutic agents. The ongoing research into this compound highlights its potential to contribute to various fields within medicine and chemistry. As synthetic methodologies continue to evolve, Methyl 4-chloro-3-(3-chloro-4-hydroxyphenyl)benzoate is poised to play an increasingly important role in the discovery and development of novel pharmaceuticals.
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