Cas no 1261903-90-5 (3-(3,5-Difluorophenyl)-5-methoxybenzoic acid)
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid
- 3-(3,5-difluorophenyl)-5-methoxybenzoic acid
- ACMC-209b43
- AK-96288
- ANW-18673
- CTK8A9696
- KB-234222
- MolPort-015-153-159
- BS-20152
- DTXSID00689637
- 3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylicacid
- 1261903-90-5
- CS-0209703
- 3',5'-Difluoro-5-methoxy[1,1'-biphenyl]-3-carboxylic acid
- [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-difluoro-5-methoxy-
- MFCD18319991
- 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid
-
- MDL: MFCD18319991
- Inchi: 1S/C14H10F2O3/c1-19-13-5-8(2-10(6-13)14(17)18)9-3-11(15)7-12(16)4-9/h2-7H,1H3,(H,17,18)
- InChI Key: ZWSJZDJCJQRNJV-UHFFFAOYSA-N
- SMILES: FC1C=C(C=C(C=1)C1C=C(C=C(C(=O)O)C=1)OC)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: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 314
- 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
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Boiling Point: 412.5±45.0 °C at 760 mmHg
- Flash Point: 203.3±28.7 °C
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019110828-5g |
3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid |
1261903-90-5 | 95% | 5g |
948.48 USD | 2021-06-17 | |
| TRC | D451243-100mg |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid |
1261903-90-5 | 100mg |
$155.00 | 2023-05-18 | ||
| TRC | D451243-250mg |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid |
1261903-90-5 | 250mg |
$305.00 | 2023-05-18 | ||
| TRC | D451243-500mg |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid |
1261903-90-5 | 500mg |
$471.00 | 2023-05-18 | ||
| TRC | D451243-1g |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid |
1261903-90-5 | 1g |
$666.00 | 2023-05-18 | ||
| Fluorochem | 218506-1g |
3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid |
1261903-90-5 | 95% | 1g |
£300.00 | 2022-03-01 | |
| Fluorochem | 218506-5g |
3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid |
1261903-90-5 | 95% | 5g |
£1200.00 | 2022-03-01 | |
| abcr | AB327132-1 g |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid; 95% |
1261903-90-5 | 1g |
€450.00 | 2023-06-21 | ||
| abcr | AB327132-1g |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid, 95%; . |
1261903-90-5 | 95% | 1g |
€450.00 | 2025-04-21 | |
| Ambeed | A654559-1g |
3',5'-Difluoro-5-methoxy-[1,1'-biphenyl]-3-carboxylic acid |
1261903-90-5 | 98% | 1g |
$303.0 | 2024-04-25 |
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid
Introduction to 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid (CAS No. 1261903-90-5)
3-(3,5-Difluorophenyl)-5-methoxybenzoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 1261903-90-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This benzoic acid derivative features a unique structural motif characterized by the presence of both fluorine substituents and a methoxy group, which endows it with distinct chemical properties and potential biological activities. The compound’s molecular structure consists of a benzene ring substituted at the 3-position with a 3,5-difluorophenyl group and at the 5-position with a methoxy group, making it a versatile scaffold for further chemical modifications and functionalization.
The synthesis of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid typically involves multi-step organic reactions, often starting from commercially available precursors such as 3,5-difluorobenzaldehyde and 4-methoxybenzoic acid. The introduction of fluorine atoms at the 3 and 5 positions enhances the compound’s lipophilicity and metabolic stability, while the methoxy group contributes to its solubility and interaction with biological targets. These structural features make it an attractive candidate for drug discovery programs targeting various therapeutic areas.
In recent years, there has been growing interest in exploring the pharmacological potential of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid and its derivatives. Preliminary studies have suggested that this compound exhibits promising biological activities, including anti-inflammatory, antioxidant, and anticancer properties. The fluorinated aromatic ring is known to enhance binding affinity to certain enzymes and receptors, while the methoxy group can modulate metabolic pathways. These characteristics have prompted researchers to investigate its role in modulating inflammatory responses and inhibiting the proliferation of cancer cells.
One of the most compelling aspects of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid is its potential as a lead compound for developing novel therapeutic agents. Its structural framework allows for further derivatization to optimize pharmacokinetic profiles and target specificity. For instance, modifications at the carboxylic acid or aromatic positions could enhance solubility or improve oral bioavailability. Additionally, computational modeling studies have been employed to predict how structural variations might influence binding interactions with biological targets, providing a rational basis for designing more effective derivatives.
The compound’s relevance in medicinal chemistry is further underscored by its incorporation into several ongoing research projects aimed at addressing unmet medical needs. Researchers are leveraging its unique scaffold to develop inhibitors targeting enzymes involved in pain signaling, neurodegenerative diseases, and metabolic disorders. The presence of both fluorine and methoxy groups offers a balance between lipophilicity and polarizability, which is often critical for achieving high affinity binding to protein targets.
From a synthetic chemistry perspective, 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid serves as an excellent intermediate for constructing more complex molecules. Its benzoic acid core can be further functionalized through esterification, amidation, or coupling reactions to introduce additional pharmacophores. This flexibility makes it a valuable building block in drug discovery pipelines where rapid access to structurally diverse libraries is essential.
The chemical properties of 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid, such as its stability under various conditions and compatibility with standard purification techniques, also contribute to its practicality in laboratory settings. These attributes ensure that researchers can reliably synthesize and handle the compound without compromising its integrity during experimental procedures.
In conclusion, 3-(3,5-Difluorophenyl)-5-methoxybenzoic acid (CAS No.1261903-90-5) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and promising biological activities. Its role as a lead compound in drug discovery underscores its importance in addressing contemporary challenges in medicine. As research continues to uncover new therapeutic applications for this compound and its derivatives, 1261903-90-5 will undoubtedly remain a cornerstone in the development of innovative treatments across multiple disease areas.
1261903-90-5 (3-(3,5-Difluorophenyl)-5-methoxybenzoic acid) Related Products
- 1261901-15-8(3-(4-Benzyloxyphenyl)-5-fluorobenzoic acid)
- 1215205-10-9(3'-Fluoro-5'-methoxybiphenyl-3-carboxylic acid)
- 1214324-49-8(3-(3-Fluorophenyl)-5-methoxybenzoic acid)
- 916343-83-4(3-(4-fluorophenyl)-5-methoxybenzoic Acid)
- 1183572-07-7(2-(3,5-Difluorophenyl)-5-methoxybenzoic acid)
- 1261898-21-8(3-(3,5-Dimethoxyphenyl)-5-fluorobenzoic acid)
- 1261891-36-4(4-(3-Carboxy-5-fluorophenyl)-2-methoxyphenol)
- 1261909-04-9(3-(4-Ethoxy-2-methylphenyl)-5-fluorobenzoic acid)
- 1261903-69-8(5-Fluoro-3-(4-methoxyphenyl)benzoic acid)
- 1261889-81-9(5-Fluoro-3-(3-methoxyphenyl)benzoic acid)