Cas no 2166650-85-5 (2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid)
2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(Trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
- 2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid
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- Inchi: 1S/C9H11F3O2/c10-9(11,12)8(6(13)14)4-7(5-8)2-1-3-7/h1-5H2,(H,13,14)
- InChI Key: NAWSYIZPFCWINZ-UHFFFAOYSA-N
- SMILES: FC(C1(C(=O)O[H])C([H])([H])C2(C([H])([H])C([H])([H])C2([H])[H])C1([H])[H])(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 270
- XLogP3: 2.7
- Topological Polar Surface Area: 37.3
2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1588431-50mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 50mg |
$344.0 | 2023-09-23 | |
| Enamine | EN300-1588431-100mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 100mg |
$515.0 | 2023-09-23 | |
| Enamine | EN300-1588431-250mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 250mg |
$735.0 | 2023-09-23 | |
| Enamine | EN300-1588431-500mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 500mg |
$1158.0 | 2023-09-23 | |
| Enamine | EN300-1588431-1000mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 1000mg |
$1485.0 | 2023-09-23 | |
| Enamine | EN300-1588431-2500mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 2500mg |
$2912.0 | 2023-09-23 | |
| Enamine | EN300-1588431-5000mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 5000mg |
$4309.0 | 2023-09-23 | |
| Enamine | EN300-1588431-10000mg |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95.0% | 10000mg |
$6390.0 | 2023-09-23 | |
| Enamine | EN300-1588431-0.05g |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95% | 0.05g |
$344.0 | 2023-11-13 | |
| Enamine | EN300-1588431-0.1g |
2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid |
2166650-85-5 | 95% | 0.1g |
$515.0 | 2023-11-13 |
2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 2-(trifluoromethyl)spiro3.3heptane-2-carboxylic acid
2-(Trifluoromethyl)Spiro[3.3]Heptane-2-Carboxylic Acid: A Comprehensive Overview
The compound 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid, identified by the CAS number 2166650-85-5, is a unique organic molecule with significant potential in various chemical and pharmaceutical applications. This compound belongs to the class of spiro compounds, which are characterized by two rings joined by a single atom, in this case, the spiro carbon atom at position 2. The presence of a trifluoromethyl group (-CF?) and a carboxylic acid group (-COOH) introduces interesting electronic and steric properties, making it a subject of interest in both academic and industrial research.
The spiro structure of this compound plays a crucial role in its chemical behavior. Spiro compounds are known for their rigidity and unique electronic environments, which can influence their reactivity and stability. The trifluoromethyl group, being highly electronegative, contributes to the compound's ability to engage in various chemical interactions, such as hydrogen bonding and dipole-dipole interactions. This makes 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid a promising candidate for applications in drug design, where such interactions are critical for bioavailability and efficacy.
Recent studies have explored the synthesis of this compound through various routes, including ring-closing metathesis and other organocatalytic methods. These methods have not only improved the yield but also provided insights into the stereochemical control of the spiro center. The carboxylic acid group can be readily modified to create derivatives with enhanced functionality, further expanding its utility in medicinal chemistry.
In terms of physical properties, 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid exhibits a high melting point due to its rigid structure and strong intermolecular forces. This property makes it suitable for applications requiring thermal stability, such as in polymer additives or high-temperature lubricants.
The latest research has also highlighted the potential of this compound in bioactive molecule design. Its ability to act as a chiral auxiliary or a building block for complex molecules has been demonstrated in several studies. For instance, researchers have successfully used it to synthesize enantiomerically enriched compounds with potential pharmacological activity.
Furthermore, the trifluoromethyl group imparts lipophilicity to the molecule, which is advantageous in drug delivery systems where solubility and permeability are key factors. This has led to investigations into its use as a component in lipid nanoparticles and other drug delivery vehicles.
In conclusion, 2-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid is a versatile compound with a wide range of applications across multiple disciplines. Its unique structure, combined with recent advancements in synthesis and functionalization techniques, positions it as an important tool in modern chemical research.
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