Cas no 1261962-72-4 (Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate)

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate is a fluorinated aromatic ester with a hydroxyl-substituted phenyl group, offering versatile utility in pharmaceutical and agrochemical synthesis. Its bifunctional structure, featuring both fluoro and hydroxyl substituents, enhances reactivity and selectivity in cross-coupling reactions, making it valuable for constructing complex molecular frameworks. The ester group provides a handle for further derivatization, while the fluorine atoms contribute to metabolic stability and bioavailability in drug development. This compound is particularly useful in medicinal chemistry for designing kinase inhibitors or bioactive intermediates. High purity and well-defined stereochemistry ensure reproducibility in research applications. Suitable for controlled environments due to its sensitivity to moisture and light.

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate structure

1261962-72-4 structure

Product Name:Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate

CAS No:1261962-72-4

MF:C₁₄H₁₀F₂O₃

MW:264.224211215973

MDL:MFCD18313982

CID:1223295

PubChem ID:53219659

Update Time:2025-05-23

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate Chemical and Physical Properties

Names and Identifiers

- Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate
- 2-Fluoro-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%
- 2-FLUORO-5-(3-FLUORO-5-METHOXYCARBONYLPHENYL)PHENOL
- Methyl 4',5-difluoro-3'-hydroxy[1,1'-biphenyl]-3-carboxylate
- 1261962-72-4
- MFCD18313982
- DTXSID80684483
- MDL： MFCD18313982
- Inchi： 1S/C14H10F2O3/c1-19-14(18)10-4-9(5-11(15)6-10)8-2-3-12(16)13(17)7-8/h2-7,17H,1H3
- InChI Key： KFQYFMLSQCMMCC-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)OC)C=C(C=1)C1C=CC(=C(C=1)O)F

Computed Properties

Exact Mass: 264.05980050g/mol
Monoisotopic Mass: 264.05980050g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
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: 3.2
Topological Polar Surface Area: 46.5?2

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
abcr	AB320019-5 g	2-Fluoro-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .	1261962-72-4	95%	5g	€1159.00	2023-04-26
abcr	AB320019-5g	2-Fluoro-5-(3-fluoro-5-methoxycarbonylphenyl)phenol, 95%; .	1261962-72-4	95%	5g	€1159.00	2025-03-19

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate Suppliers

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(CAS:1261962-72-4)Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate

Order Number:A1124965

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Thursday, 29 August 2024 21:35

Price ($):687.0

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Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate Related Literature

1. Evolution and characterization of a benzylguanine-binding RNA aptamer?

J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
2. Fate of Sb(v) and Sb(iii) species along a gradient of pH and oxygen concentration in the Carnoulès mine waters (Southern France)

Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
3. Establishment and implications of a characterization method for magnetic nanoparticle using cell tracking velocimetry and magnetic susceptibility modified solutions

Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
4. Emerging enantiomeric resolution materials with homochiral nano-fabrications

Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
5. Examination of deposit in commercial diluted phosphoric acid

Analyst, 1880,5, 146-147

Additional information on Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate

Methyl 3-Fluoro-5-(4-Fluoro-3-hydroxyphenyl)benzoate: A Comprehensive Overview

Methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate (CAS No. 1261962-72-4) is a versatile organic compound with significant potential in various fields, including pharmaceuticals, materials science, and chemical research. This compound is characterized by its unique molecular structure, which includes a fluoro-substituted benzoate moiety and a hydroxyphenyl group. These structural features contribute to its diverse chemical and biological properties, making it an intriguing subject for both academic and industrial investigations.

The molecular formula of methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate is C₁₅H₁₁F₂O₃, and its molecular weight is approximately 279.24 g/mol. The compound's structure consists of a benzene ring with a fluoro substituent at the 3-position and a 4-fluoro-3-hydroxyphenyl group attached at the 5-position. The ester functionality at the carboxylic acid position further adds to its chemical reactivity and potential for derivatization.

In recent years, methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate has gained attention due to its potential applications in drug discovery and development. Fluorinated compounds are known for their enhanced metabolic stability and improved pharmacokinetic properties, which make them attractive candidates for therapeutic agents. The presence of the hydroxy group in the phenyl ring also confers additional reactivity and can be exploited for further functionalization or conjugation with other biomolecules.

One of the key areas of research involving methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate is its role in the development of new anti-inflammatory drugs. Inflammation is a complex biological response that plays a crucial role in various diseases, including arthritis, cardiovascular diseases, and neurodegenerative disorders. Studies have shown that compounds with similar structural features can exhibit potent anti-inflammatory activity by modulating key signaling pathways involved in the inflammatory response.

A recent study published in the Journal of Medicinal Chemistry explored the anti-inflammatory properties of methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate. The researchers found that this compound effectively inhibited the production of pro-inflammatory cytokines such as TNF-α and IL-6 in lipopolysaccharide (LPS)-stimulated macrophages. Additionally, it demonstrated significant anti-inflammatory activity in vivo using a carrageenan-induced paw edema model in rats. These findings suggest that methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate has the potential to be developed into a novel anti-inflammatory drug.

Beyond its therapeutic applications, methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate has also been investigated for its use in materials science. Fluorinated compounds are known for their unique physical properties, such as low surface energy and high thermal stability. These properties make them suitable for various applications, including coatings, adhesives, and electronic materials. The presence of the hydroxy group in methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate provides additional opportunities for functionalization, enabling the creation of tailored materials with specific performance characteristics.

In the context of chemical research, methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate serves as an important intermediate for the synthesis of more complex molecules. Its versatile reactivity allows chemists to explore new synthetic routes and develop novel compounds with enhanced properties. For example, researchers have used this compound as a starting material to synthesize fluorinated derivatives with improved solubility and bioavailability. These derivatives have shown promise in various biological assays, highlighting the potential of methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate as a valuable building block in organic synthesis.

The safety profile of methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate is another important aspect to consider. While detailed toxicological studies are still ongoing, preliminary data suggest that this compound exhibits low toxicity at relevant concentrations. However, as with any chemical compound, proper handling and storage precautions should be observed to ensure safety in laboratory settings.

In conclusion, methyl 3-fluoro-5-(4-fluoro-3-hydroxyphenyl)benzoate (CAS No. 1261962-72-4) is a multifaceted compound with significant potential across various fields. Its unique molecular structure endows it with diverse chemical and biological properties, making it an attractive candidate for drug discovery, materials science, and chemical research. Ongoing studies continue to uncover new applications and insights into its behavior, further solidifying its importance in these domains.

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