Cas no 337526-60-0 (2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride)
2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 2-amino-6,7,8,9-tetrahydrobenzocyclohepten-5-one hydrochloride
- 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride
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- Inchi: 1S/C11H13NO.ClH/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13;/h5-7H,1-4,12H2;1H
- InChI Key: MEOHCGFQFDFPRM-UHFFFAOYSA-N
- SMILES: Cl.O=C1C2C=CC(=CC=2CCCC1)N
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 202
- Topological Polar Surface Area: 43.1
2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM518288-1g |
2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride |
337526-60-0 | 97% | 1g |
$473 | 2022-06-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1733668-1g |
2-Amino-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one hydrochloride |
337526-60-0 | 98% | 1g |
¥3346.00 | 2024-05-18 |
2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride
Introduction to 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride (CAS No. 337526-60-0)
2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride, identified by its CAS number 337526-60-0, is a structurally complex organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of benzoannulene derivatives, which are known for their diverse biological activities and potential therapeutic applications. The hydrochloride salt form enhances its solubility and stability, making it a valuable candidate for further investigation in drug development.
The molecular structure of 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride features a fused ring system consisting of a benzene ring and a seven-membered annulene ring, with an amino group at the 2-position and a ketone group at the 5-position. This unique arrangement contributes to its distinct chemical properties and biological interactions. The presence of the amino group makes it a potential precursor for the synthesis of more complex molecules, while the hydrochloride salt form ensures better pharmacokinetic behavior.
In recent years, there has been growing interest in benzoannulene derivatives due to their reported activities as kinase inhibitors, anti-inflammatory agents, and antimicrobial compounds. The 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride has been studied for its potential role in modulating various biological pathways. For instance, preliminary in vitro studies suggest that this compound may interact with specific enzymes involved in cell signaling and proliferation, making it a promising candidate for further exploration in oncology research.
One of the most intriguing aspects of 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride is its structural similarity to naturally occurring bioactive molecules. Researchers have hypothesized that its scaffold could mimic or enhance the activity of known pharmacophores. This has led to several synthetic efforts aimed at modifying its structure to improve potency and selectivity. The hydrochloride form has been particularly useful in these endeavors due to its enhanced solubility in aqueous media, which facilitates formulation development and bioavailability studies.
The compound's potential applications extend beyond traditional pharmaceuticals. Its unique structural features make it an attractive scaffold for designing novel materials with specialized properties. For example, researchers have explored its use in developing organic semiconductors and light-emitting diodes (OLEDs), where benzoannulene derivatives are known for their electron-donating capabilities and stability under various conditions.
Recent advancements in computational chemistry have also played a crucial role in understanding the behavior of 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride. Molecular dynamics simulations and quantum mechanical calculations have provided insights into its interaction with biological targets at an atomic level. These studies have helped refine the design of analogs with improved pharmacological profiles. Additionally, virtual screening techniques have been employed to identify new derivatives with enhanced activity against specific disease-related targets.
The synthesis of 2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride presents both challenges and opportunities for synthetic chemists. The construction of the benzoannulene core requires multi-step reactions that often involve advanced catalytic methods and protecting group strategies. However, recent innovations in synthetic methodologies have made it more feasible to access these complex structures efficiently. For instance, transition-metal-catalyzed cross-coupling reactions have been instrumental in forming key carbon-carbon bonds within the molecule.
In conclusion,2-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one hydrochloride (CAS No. 337526-60-0) represents a fascinating compound with significant potential in pharmaceutical research and beyond. Its unique structural features and reported biological activities make it a valuable scaffold for developing new drugs and materials. As research continues to uncover more about its properties and applications, this compound is likely to remain at the forefront of scientific investigation.
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