Cas no 34663-15-5 (6,7,8,9-tetrahydro-5H-benzo7annulen-6-one)
6,7,8,9-tetrahydro-5H-benzo7annulen-6-one Chemical and Physical Properties
Names and Identifiers
-
- 8,9-Dihydro-5H-benzo[7]annulen-6(7H)-one
- 5,7,8,9-TETRAHYDRO-6H-BENZO[A]CYCLOHEPTEN-6-ONE
- 5,7,8,9-tetrahydrobenzo[7]annulen-6-one
- 6,7,8,9-tetrahydro-5H-benzo7annulen-6-one
- 6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one
- 5,7,8,9-Tetrahydro-6H-benzo[7]annulen-6-one
- VDQFEVQCXBWMII-UHFFFAOYSA-N
- DTXSID60500117
- 5,7,8,9-tetrahydro-6H-benzocyclohept-6-one
- DB-129631
- Z1255446913
- AKOS022171596
- EN300-109241
- CS-0006420
- 5,7,8,9-tetrahydrobenzocyclohepten-6-one
- 34663-15-5
- SCHEMBL379443
-
- MDL: MFCD09867956
- Inchi: 1S/C11H12O/c12-11-7-3-6-9-4-1-2-5-10(9)8-11/h1-2,4-5H,3,6-8H2
- InChI Key: VDQFEVQCXBWMII-UHFFFAOYSA-N
- SMILES: O=C1CC2C=CC=CC=2CCC1
Computed Properties
- Exact Mass: 160.088815002g/mol
- Monoisotopic Mass: 160.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 2
- Topological Polar Surface Area: 17.1?2
6,7,8,9-tetrahydro-5H-benzo7annulen-6-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019093832-1g |
8,9-Dihydro-5H-benzo[7]annulen-6(7H)-one |
34663-15-5 | 95% | 1g |
$690.80 | 2023-09-02 | |
| eNovation Chemicals LLC | Y1003069-5g |
8,9-Dihydro-5H-benzo[7]annulen-6(7H)-one |
34663-15-5 | 95% | 5g |
$2000 | 2024-07-24 | |
| Enamine | EN300-109241-0.05g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 0.05g |
$278.0 | 2023-10-27 | |
| Enamine | EN300-109241-0.1g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 0.1g |
$416.0 | 2023-10-27 | |
| Enamine | EN300-109241-0.25g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 0.25g |
$594.0 | 2023-10-27 | |
| Enamine | EN300-109241-0.5g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 0.5g |
$936.0 | 2023-10-27 | |
| Enamine | EN300-109241-1.0g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 1.0g |
$1200.0 | 2023-07-07 | |
| Enamine | EN300-109241-2.5g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 2.5g |
$2351.0 | 2023-10-27 | |
| Enamine | EN300-109241-5.0g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 5.0g |
$3479.0 | 2023-07-07 | |
| Enamine | EN300-109241-10.0g |
6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one |
34663-15-5 | 95% | 10.0g |
$5159.0 | 2023-07-07 |
6,7,8,9-tetrahydro-5H-benzo7annulen-6-one Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
Additional information on 6,7,8,9-tetrahydro-5H-benzo7annulen-6-one
Comprehensive Overview of 6,7,8,9-Tetrahydro-5H-benzo[7]annulen-6-one (CAS No. 34663-15-5)
6,7,8,9-Tetrahydro-5H-benzo[7]annulen-6-one (CAS No. 34663-15-5) is a bicyclic organic compound with a unique structural framework that has garnered significant interest in pharmaceutical and material science research. This compound, often referred to as a benzo-fused cycloheptenone, exhibits versatile chemical properties due to its rigid yet flexible ring system. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in the development of central nervous system (CNS) therapeutics and anti-inflammatory agents.
The synthetic routes for 6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one often involve intramolecular cyclization or transition-metal-catalyzed reactions, making it a subject of interest in green chemistry discussions. With growing demand for sustainable synthesis methods, this compound’s production aligns with trends toward atom economy and catalytic efficiency. Its molecular weight (162.23 g/mol) and moderate lipophilicity further enhance its applicability in medicinal chemistry optimization.
In recent years, 34663-15-5 has been studied for its structural similarity to bioactive natural products, such as terpenoids and flavonoids. This connection has spurred investigations into its potential antioxidant properties, a hot topic in nutraceutical research. Users frequently search for "benzoannulenone derivatives in skincare" or "cycloheptenone applications in cosmetics", reflecting broader consumer interest in multifunctional ingredients.
From a material science perspective, 6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one serves as a precursor for organic semiconductors and liquid crystal materials. Its conjugated π-system allows for tunable electrochemical properties, making it relevant to flexible electronics—a trending sector driven by wearable technology demands. Searches like "small molecules for OLEDs" or "aromatic ketones in photovoltaics" highlight this intersection.
Analytical characterization of CAS 34663-15-5 typically employs NMR spectroscopy, mass spectrometry, and X-ray crystallography, with its crystalline form being a focus for polymorphism studies. The compound’s melting point (≈80–85°C) and solubility profile are critical parameters for industrial applications, often queried as "benzo[7]annulenone solubility in DMSO" or "thermal stability of cyclic ketones."
Environmental and regulatory aspects of 6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-one remain compliant with major REACH and FDA guidelines, though niche discussions arise around biodegradation pathways. Its low ecotoxicity profile positions it favorably compared to traditional aromatic solvents, aligning with the bio-based chemical movement.
Future research directions may explore enantioselective synthesis of this scaffold for chiral drug development, leveraging its stereogenic center. As AI-assisted molecular design grows, queries like "machine learning for annulene derivatives" suggest evolving interdisciplinary approaches. The compound’s patent landscape also shows incremental innovation, particularly in catalytic asymmetric hydrogenation techniques.
In summary, 34663-15-5 represents a compelling case study in bridging academic research with industrial applications. Its dual relevance to life sciences and advanced materials ensures sustained visibility in scientific literature and patent filings, while its structural novelty continues to inspire hypothesis-driven research across multiple disciplines.
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