Cas no 15448-58-5 (1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione)
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Chemical and Physical Properties
Names and Identifiers
-
- Naphth[2,3-b]oxirene-2,7-dione,1a,7a-dihydro-
- 1A,7A-DIHYDRONAPHTHO[2,3-B]OXIRENE-2,7-DIONE
- 1,4-naphthoquinone epoxide
- 1,4-naphthoquinone oxide
- 11-Oxatricyclo[8.1.0.03,8]undecane-3(8),4,6-triene-2,9-dione
- 1a,2,7,7a-Tetrahydronaphtho[2,3-b]oxirene-2,7-dione
- 1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-quinone
- 2,3-Epo
- 2,3-epoxy-1,4-naphthoquinone
- 2,3-EPOXY-2,3-DIHYDRO-1,4-NAPHTHOQUINONE
- 2,3-Epoxy-2,3-dihydronaphthoquinone
- Naphth[2,3-b]oxirene-2,7-dione,1a,7a-dihydro-(9CI)
- Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
- naphthoquinone epoxide
- NSC102657
- DTXSID20934994
- 15448-58-5
- 1a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dione #
- FT-0637227
- 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-
- SCHEMBL3367182
- 1,4-Naphthoquinone 2,3-oxide
- AKOS016339965
- AKOS001675796
- CS-0334004
- NSC-666392
- NCIOpen2_001666
- 1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione
- 1R-0689
- NSC666392
- NSC 102657
- Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-
- NCGC00246537-01
- 2,3-dihydro-2,3-epoxy-1,4-naphthoquinone
- NSC-102657
- 2,3-epoxy-2, 3-dihydro-1,4-naphthoquinone
- NS00052027
- EINECS 239-465-1
- CHEMBL1492909
- DB-043224
- 1AH,7AH-NAPHTHO[2,3-B]OXIRENE-2,7-DIONE
- 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione
-
- Inchi: 1S/C10H6O3/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-10/h1-4,9-10H
- InChI Key: TVVRFUOKLKGUKT-UHFFFAOYSA-N
- SMILES: O1C2C(C3C=CC=CC=3C(C12)=O)=O
Computed Properties
- Exact Mass: 174.03200
- Monoisotopic Mass: 174.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1
- Topological Polar Surface Area: 46.7
Experimental Properties
- Color/Form: Not determined
- Density: 1.462
- Boiling Point: 377.8°Cat760mmHg
- Flash Point: 173.9°C
- Refractive Index: 1.641
- PSA: 46.67000
- LogP: 0.83300
- Solubility: Not determined
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Security Information
- Hazard Statement: Irritant
-
Hazardous Material Identification:
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Customs Data
- HS CODE:2932999099
- Customs Data:
China Customs Code:
2932999099Overview:
2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR32456-1g |
1AH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione |
15448-58-5 | tech | 1g |
£1078.00 | 2025-02-20 | |
| Ambeed | A687530-1g |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | 97% | 1g |
$1122.0 | 2024-04-23 | |
| TRC | A177525-25mg |
1a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dione |
15448-58-5 | 25mg |
$ 230.00 | 2022-06-08 | ||
| TRC | A177525-50mg |
1a,7a-Dihydronaphtho[2,3-b]oxirene-2,7-dione |
15448-58-5 | 50mg |
$ 380.00 | 2022-06-08 | ||
| Apollo Scientific | OR32456-500mg |
1AH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione |
15448-58-5 | tech | 500mg |
£539.00 | 2025-02-20 | |
| A2B Chem LLC | AE93957-1mg |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | >90% | 1mg |
$201.00 | 2024-04-20 | |
| A2B Chem LLC | AE93957-5mg |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | >90% | 5mg |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AE93957-10mg |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | >90% | 10mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AE93957-500mg |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | >90% | 500mg |
$720.00 | 2024-04-20 | |
| A2B Chem LLC | AE93957-1g |
Naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione |
15448-58-5 | >90% | 1g |
$1295.00 | 2024-04-20 |
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Suppliers
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione Related Literature
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Allimuthu T. Dharmaraja,Tapan K. Dash,V. Badireenath Konkimalla,Harinath Chakrapani Med. Chem. Commun. 2012 3 219
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Liwen Feng,Don Antoine Lanfranchi,Leandro Cotos,Elena Cesar-Rodo,Katharina Ehrhardt,Alice-Anne Goetz,Herbert Zimmermann,Fran?ois Fenaille,Stephanie A. Blandin,Elisabeth Davioud-Charvet Org. Biomol. Chem. 2018 16 2647
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3. Quinone epoxides. Part VII. Stereospecific elaboration of 2-acetyl-1,4-naphthoquinone epoxidesG. Read,V. M. Ruiz J. Chem. Soc. Perkin Trans. 1 1973 235
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4. Quinone epoxides. Part VIII. C-acetyl fission and C→O-acetyl migration in reactions of acetylquinone epoxides and related compoundsG. Read,V. M. Ruiz J. Chem. Soc. Perkin Trans. 1 1973 368
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5. Quinone epoxides. Part VIII. C-acetyl fission and C→O-acetyl migration in reactions of acetylquinone epoxides and related compoundsG. Read,V. M. Ruiz J. Chem. Soc. Perkin Trans. 1 1973 368
Additional information on 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione
Introduction to 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione (CAS No: 15448-58-5)
1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione, identified by the chemical registration number CAS No: 15448-58-5, is a structurally intriguing heterocyclic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of naphthodiazinones, characterized by a fused ring system containing both hydrocarbon and oxygen atoms. The unique arrangement of its molecular framework presents a rich scaffold for further chemical modifications and biological evaluations, making it a valuable intermediate in synthetic chemistry and drug discovery programs.
The molecular structure of 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione consists of a partially hydrogenated naphthalene core with incorporated carbonyl groups at the 2 and 7 positions, forming a dihydroxanthone derivative. This configuration endows the compound with distinct electronic and steric properties that are highly relevant for its potential applications in medicinal chemistry. The presence of multiple reactive sites, including hydroxyl and carbonyl functionalities, allows for diverse chemical transformations such as oxidation, reduction, and coupling reactions, which are pivotal in constructing more complex molecules.
In recent years, there has been growing interest in exploring the pharmacological properties of naphthodiazinone derivatives due to their reported biological activities. Studies have indicated that compounds within this class exhibit potential antimicrobial, anti-inflammatory, and antioxidant effects. Specifically, 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione has been investigated for its ability to interact with various biological targets. For instance, preliminary in vitro studies suggest that this compound may possess inhibitory activity against certain enzymes implicated in metabolic disorders. Additionally, its structural similarity to natural products has prompted researchers to examine its role as a precursor in synthesizing bioactive molecules with therapeutic relevance.
The synthesis of 1a,7a-Dihydronaphtho2,3-boxirene-2,7-dione involves multi-step organic reactions that highlight the compound's synthetic versatility. Traditional methods often employ cyclization reactions followed by functional group interconversions to achieve the desired product. Advances in catalytic processes have also enabled more efficient routes to this scaffold, reducing reaction times and improving yields. These synthetic advancements are crucial for scaling up production and facilitating further mechanistic studies. The compound's stability under various conditions makes it suitable for long-term storage and transportation without significant degradation.
From an industrial perspective,1a-Dihydronaphtho23,3′-boxirene-24,4′-dione (CAS No: 15448-58-5) serves as a key building block in pharmaceutical manufacturing. Its incorporation into drug candidates allows chemists to fine-tune physicochemical properties such as solubility and bioavailability while maintaining desired pharmacological effects. The demand for high-purity compounds like this one underscores the importance of robust purification techniques such as column chromatography or recrystallization to ensure optimal performance in downstream applications.
The regulatory landscape for compounds like 1a-Dihydronaphtho3,3′-boxirene-24,4′-dione (CAS No: 15448-58-5) is designed to ensure safety and efficacy in both research and commercial settings. Manufacturers must adhere to stringent guidelines regarding quality control and documentation to meet international standards set by agencies such as the U.S. Food & Drug Administration (FDA) or the European Medicines Agency (EMA). These regulations not only safeguard consumers but also promote scientific integrity by providing researchers with reliable materials for their investigations.
Recent research has expanded beyond traditional applications into novel fields such as material science and agrochemistry. The unique electronic properties of 1a-Dihydronaphtho3,3′-boxirene-24,4′-dione (CAS No: 15448-58-5) have inspired studies on its potential use in organic electronics or as a precursor for specialty chemicals with tailored functionalities. Such interdisciplinary approaches demonstrate how fundamental chemical research can lead to unexpected breakthroughs across multiple industries.
In conclusion,1a-Dihydronaphtho3,3′-boxirene-24,4′-dione (CAS No: 15448-58-5) represents a fascinating compound with broad utility spanning medicinal chemistry through industrial applications. Its well-defined structure offers numerous opportunities for further exploration while adhering to rigorous scientific standards ensures its continued relevance in advancing knowledge within both academic laboratories and industrial R&D facilities worldwide.
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