Cas no 1214324-11-4 (Methyl 2-bromo-6-(trifluoromethyl)benzoate)
Methyl 2-bromo-6-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromo-6-(trifluoromethyl)benzoate
- Benzoic acid, 2-bromo-6-(trifluoromethyl)-, methyl ester
- METHYL 2-BROMO-6-TRIFLUOROMETHYLBENZOATE
- methyl2-bromo-6-(trifluoromethyl)benzoate
- MFCD14697996
- CQAHAANYLBWFOP-UHFFFAOYSA-N
- AS-46043
- 1214324-11-4
- DTXSID60673198
- CS-0442608
- CL8530
- AKOS024258489
-
- MDL: MFCD14697996
- Inchi: 1S/C9H6BrF3O2/c1-15-8(14)7-5(9(11,12)13)3-2-4-6(7)10/h2-4H,1H3
- InChI Key: CQAHAANYLBWFOP-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(C(F)(F)F)=C1C(=O)OC
Computed Properties
- Exact Mass: 281.95033g/mol
- Monoisotopic Mass: 281.95033g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- 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
- XLogP3: 3.4
- Topological Polar Surface Area: 26.3?2
Methyl 2-bromo-6-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015008134-250mg |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 97% | 250mg |
$475.20 | 2023-09-04 | |
| Alichem | A015008134-500mg |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 97% | 500mg |
$839.45 | 2023-09-04 | |
| Alichem | A015008134-1g |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 97% | 1g |
$1579.40 | 2023-09-04 | |
| TRC | M219928-50mg |
Methyl 2-Bromo-6-trifluoromethylbenzoate |
1214324-11-4 | 50mg |
$ 50.00 | 2022-06-02 | ||
| TRC | M219928-100mg |
Methyl 2-Bromo-6-trifluoromethylbenzoate |
1214324-11-4 | 100mg |
$ 65.00 | 2022-06-02 | ||
| TRC | M219928-500mg |
Methyl 2-Bromo-6-trifluoromethylbenzoate |
1214324-11-4 | 500mg |
$ 160.00 | 2022-06-02 | ||
| Apollo Scientific | PC502702-1g |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 1g |
£136.00 | 2023-08-31 | ||
| Ambeed | A906412-100mg |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 98% | 100mg |
$30.0 | 2024-04-25 | |
| Ambeed | A906412-250mg |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 98% | 250mg |
$49.0 | 2024-04-25 | |
| Ambeed | A906412-1g |
Methyl 2-bromo-6-(trifluoromethyl)benzoate |
1214324-11-4 | 98% | 1g |
$96.0 | 2024-04-25 |
Methyl 2-bromo-6-(trifluoromethyl)benzoate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
Additional information on Methyl 2-bromo-6-(trifluoromethyl)benzoate
Methyl 2-bromo-6-(trifluoromethyl)benzoate (CAS No. 1214324-11-4): A Versatile Intermediate in Modern Pharmaceutical Synthesis
Methyl 2-bromo-6-(trifluoromethyl)benzoate (CAS No. 1214324-11-4) is a highly valuable compound in the realm of pharmaceutical synthesis, characterized by its unique structural properties and broad applicability in drug development. This compound, featuring a bromine substituent at the second position and a trifluoromethyl group at the sixth position of the benzoate backbone, has garnered significant attention due to its role as a key intermediate in the synthesis of various bioactive molecules.
The structural motif of Methyl 2-bromo-6-(trifluoromethyl)benzoate imparts distinct chemical functionalities that make it an attractive building block for medicinal chemists. The presence of the bromine atom allows for further modifications via cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, enabling the introduction of diverse aryl or heteroaryl groups. Concurrently, the trifluoromethyl group enhances lipophilicity and metabolic stability, which are critical factors in optimizing drug-like properties.
In recent years, Methyl 2-bromo-6-(trifluoromethyl)benzoate has been extensively utilized in the development of novel therapeutic agents. For instance, its incorporation into kinase inhibitors has shown promise in targeting various cancers by modulating intracellular signaling pathways. The compound’s ability to serve as a precursor for constructing complex scaffolds has been leveraged in the design of small-molecule drugs that exhibit high selectivity and efficacy.
The pharmaceutical industry has also explored the use of Methyl 2-bromo-6-(trifluoromethyl)benzoate in the synthesis of antiviral and anti-inflammatory agents. Its structural features contribute to enhanced binding affinity to biological targets, making it a valuable candidate for drug discovery programs. Furthermore, research indicates that derivatives of this compound exhibit potent activity against resistant strains of pathogens, underscoring its significance in addressing emerging therapeutic challenges.
The synthesis of Methyl 2-bromo-6-(trifluoromethyl)benzoate typically involves multi-step organic transformations, starting from commercially available benzoic acid derivatives. Advanced synthetic methodologies, including halogenation and trifluoromethylation reactions, are employed to introduce the desired substituents with high precision. These synthetic strategies ensure high yields and purity, which are essential for pharmaceutical applications where impurities can compromise safety and efficacy.
The versatility of Methyl 2-bromo-6-(trifluoromethyl)benzoate extends beyond its role as an intermediate; it also serves as a model compound for studying electronic effects and steric influences on molecular reactivity. Researchers utilize computational chemistry tools to predict how modifications at the benzoate core can influence pharmacokinetic properties, such as solubility and bioavailability. Such studies contribute to the growing body of knowledge that aids in rational drug design.
In conclusion, Methyl 2-bromo-6-(trifluoromethyl)benzoate (CAS No. 1214324-11-4) represents a cornerstone in modern pharmaceutical synthesis. Its unique structural features and broad applicability make it indispensable in drug discovery and development. As research continues to uncover new therapeutic applications, this compound will undoubtedly remain at the forefront of medicinal chemistry innovation.
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