Cas no 2222-33-5 (5-Dibenzosuberenone)
5-Dibenzosuberenone Chemical and Physical Properties
Names and Identifiers
-
- 5H-Dibenzo[a,d][7]annulen-5-one
- 5H-Dibenzo[a,d]cyclohepten-5-one
- Dibenzosuberonone
- 2,3:6,7-Dibenzosuberenone
- Dibenzosuberenon
- 5H-DIBENZO(A,D)CYCLOHEPTENE-5-OL
- 5-DIBENZOSUBERENONE
- DIBENZOSUBERENONE-5
- DIBENZO[A,D]-CYCLOHEPTENE-5-ONE
- DIBENZO[A,B] CYCLOHEPTEN-5-ONE
- 2,3,6,7-Dibenzotropone
- Dibenzosuberenone
- dibenzo[1,2-a:1',2'-e][7]annulen-11-one
- 2,3:6,7-Dibenzosuberen-4-on-1
- 2,3:6,7-Dibenzotropone
- 5H-Dibenzo(a,d)cycloheptenone
- Dibenzo(a,d)cyclohepten-5-one
- Dibenzo(b,f)cyclohepten-1-one
- 5H-Dibenzo(a,d)cyclohepten-5-one
- Dibenzo[a,d]cyclohepten-5-one
- XQJHQ6T1YB
- 5H-Dibenzo[a,d]cycloheptenone
- MLS001359822
- SNVTZAIYUGUKNI-UHFFFAOYSA-N
- 5H-Dibenzo[a,d]cylohepten-5-one
- AKOS004907136
- MFCD00003588
- 5-Dibenzosuberenone, 97%
- tricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
- dibenzo[1,2-a:1'',2''-e][7]annulen-11-one
- dibenzo[[?],[?]][7]annulen-11-one
- tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
- FT-0602562
- SCHEMBL268735
- dibenzo[1,2-a:1'',2''-e]cyclohepten-11-one
- 5H-Dibenzo[a,d]cyclohepten-5-one; Dibenzosuberenone
- SMR001224379
- 5H-dibenzo[a,d]cycloheptene-5-on
- NCGC00247282-01
- AS-13493
- CS-0001455
- EN300-196163
- dibenzo[a,d]cyclo-hepten-5-one
- NSC 86151
- 5h-dibenzo[a,d]cyclohepten-5-one (dibenzosuberenone)
- 2,7-Dibenzotropone
- DTXSID4062274
- EC 218-737-3
- Dibenzo[b,f]cyclohepten-1-one
- 5H-dibenzo[a,d]cyclo-hepten-5-one
- D1791
- CHEMBL1535826
- TRICYCLO[9.4.0.0(3),?]PENTADECA-1(15),3,5,7,9,11,13-HEPTAEN-2-ONE
- A852221
- SY039325
- 2222-33-5
- BDBM93906
- NS00003118
- AC-8771
- NSC-86151
- NSC86151
- 4-07-00-01737 (Beilstein Handbook Reference)
- 5H-dibenzo[a,d]-cyclohepten-5-one
- 2,7-Dibenzosuberen-4-on-1
- W-107494
- 5H-Dibenzo[a,d]cyclohepten-5-one;5H-Dibenzo[a,d][7]annulen-5-one
- BRN 0743171
- SR-01000316066-1
- PD014063
- cid_16679
- EINECS 218-737-3
- DIBENZOCYCLOHEPTENONE [USP IMPURITY]
- AM20030373
- UNII-XQJHQ6T1YB
- 11-dibenzo[1,2-a:1'',2''-e][7]annulenone
- SR-01000316066
- HMS3058N10
- WLN: L C676 BVJ
- 5H-dibenzo[a,d]cycloheptene-5-one
- dibenzo[1,2-a:1\\',2\\'-e][7]annulen-11-one
- 5-Dibenzosuberenone
-
- MDL: MFCD00003588
- Inchi: 1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
- InChI Key: SNVTZAIYUGUKNI-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2C=CC2C=CC=CC=21
- BRN: 0743171
Computed Properties
- Exact Mass: 206.07300
- Monoisotopic Mass: 206.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 277
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: White or cream powder
- Density: 1.0701 (rough estimate)
- Melting Point: 88.0 to 91.0 deg-C
- Boiling Point: 210°C/3mmHg(lit.)
- Flash Point: 160.2 °C
- Refractive Index: 1.6324 (estimate)
- Water Partition Coefficient: Soluble in chloroform, ethyl acetate. Insoluble in water.
- PSA: 17.07000
- LogP: 3.35320
- Solubility: Insoluble
5-Dibenzosuberenone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H410
- Warning Statement: P273-P391-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S24/25
- RTECS:HP1147500
-
Hazardous Material Identification:
- Safety Term:S24/25
- Risk Phrases:R36/37/38
- HazardClass:9
- PackingGroup:III
- TSCA:Yes
- Storage Condition:Store at room temperature
5-Dibenzosuberenone Customs Data
- HS CODE:2914399090
- Customs Data:
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
5-Dibenzosuberenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D1791-25g |
Dibenzosuberenone |
2222-33-5 | >98.0%(GC) | 25g |
¥190.00 | 2024-04-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D556A-100g |
5-Dibenzosuberenone |
2222-33-5 | 98% | 100g |
¥438.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D556A-5g |
5-Dibenzosuberenone |
2222-33-5 | 98% | 5g |
¥33.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D556A-25g |
5-Dibenzosuberenone |
2222-33-5 | 98% | 25g |
¥120.0 | 2022-05-30 | |
| Chemenu | CM153324-500g |
5h-dibenzo(a,d)cyclohepten-5-one |
2222-33-5 | 95+% | 500g |
$240 | 2021-06-17 | |
| Fluorochem | 024670-1g |
Dibenzosuberenone |
2222-33-5 | 98% | 1g |
£10.00 | 2022-02-28 | |
| Fluorochem | 024670-5g |
Dibenzosuberenone |
2222-33-5 | 98% | 5g |
£14.00 | 2022-02-28 | |
| Fluorochem | 024670-25g |
Dibenzosuberenone |
2222-33-5 | 98% | 25g |
£34.00 | 2022-02-28 | |
| Fluorochem | 024670-100g |
Dibenzosuberenone |
2222-33-5 | 98% | 100g |
£99.00 | 2022-02-28 | |
| Chemenu | CM153324-100g |
5h-dibenzo(a,d)cyclohepten-5-one |
2222-33-5 | 95+% | 100g |
$95 | 2022-06-11 |
5-Dibenzosuberenone Suppliers
5-Dibenzosuberenone Related Literature
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1. Conformational analysis of some 5-substituted 5H-dibenzo[a,d?]cycloheptenesAnders Hjelmencrantz,Annika Friberg,Ulf Berg J. Chem. Soc. Perkin Trans. 2 2000 1293
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2. Fulvenes and thermochromic ethylenes. Part LX. The conformation of 5H-dibenzo[a,d]cyclohepten-5-one and 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-oneHannah Weiler-Feilchenfeld,Abraham Solomonovici J. Chem. Soc. B 1971 869
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3. EPR, ENDOR and TRIPLE resonance characterization of three paramagnetic reduction stages of 5-(9′-fluorenylidene)-5H-dibenzo[a,d] cycloheptene. Radical anions, radical trianions and radical penta-anionsM. Celina R. L. R. Lazana,M. Luisa T. M. B. Franco J. Chem. Soc. Faraday Trans. 1995 91 3821
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4. First successful substitution of 5H-dibenzo[a,d]cyclohepten-5-oneJoshua Rokach,Yves Girard,Joseph G. Atkinson J. Chem. Soc. Chem. Commun. 1979 892
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5. Fluvenes and thermochromic ethylenes. Part LXVIII. The stereochemistry of the Wittig–Horner reaction with fulvenic and related ketonesM. Rabinovitz,A. Solomonovici,H. Weiler-Feilchenfeld J. Chem. Soc. Perkin Trans. 2 1972 1836
Additional information on 5-Dibenzosuberenone
Introduction to 5-Dibenzosuberenone (CAS No. 2222-33-5)
5-Dibenzosuberenone, with the chemical formula C??H??O?, is a significant compound in the field of pharmaceutical and biochemical research. Its molecular structure, characterized by a dibenzosuberone core, makes it a compound of interest for various applications, particularly in the study of molecular interactions and drug development. This introduction provides an in-depth exploration of 5-Dibenzosuberenone, its properties, and its relevance to contemporary research.
The compound CAS No. 2222-33-5 is widely recognized for its unique chemical properties and potential biological activities. Dibenzosuberone derivatives have been extensively studied due to their structural similarity to certain natural products known for their pharmacological effects. The presence of a ketone group in the molecule enhances its reactivity, making it a valuable scaffold for synthetic chemistry and medicinal chemistry applications.
In recent years, 5-Dibenzosuberenone has garnered attention for its role in investigating molecular mechanisms underlying various diseases. Research has demonstrated its potential in modulating pathways associated with inflammation and oxidative stress, which are key factors in conditions such as neurodegenerative disorders and cardiovascular diseases. The compound's ability to interact with specific biological targets has made it a candidate for further exploration in therapeutic contexts.
The synthesis of 5-Dibenzosuberenone involves multi-step organic reactions that highlight the compound's structural complexity. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that researchers have access to high-quality material for their studies. These synthetic approaches often involve palladium-catalyzed cross-coupling reactions and oxidation processes, which are critical in constructing the dibenzosuberone framework.
One of the most compelling aspects of 5-Dibenzosuberenone is its versatility in drug discovery programs. Its core structure can be modified to develop novel analogs with enhanced pharmacological properties. For instance, substituting hydroxyl groups or introducing other functional moieties can alter its binding affinity and selectivity towards specific targets. This flexibility makes it an attractive candidate for structure-activity relationship (SAR) studies.
The pharmacological profile of CAS No. 2222-33-5 has been the focus of numerous preclinical studies. Researchers have explored its potential as an anti-inflammatory agent, particularly in models of acute and chronic inflammation. The compound's ability to inhibit key enzymes involved in inflammatory pathways suggests its therapeutic relevance. Additionally, preliminary data indicate that it may have neuroprotective effects, which could be beneficial in treating conditions like Alzheimer's disease and Parkinson's disease.
In the realm of computational chemistry, 5-Dibenzosuberenone has been used as a reference compound for virtual screening campaigns. High-throughput virtual screening (HTVS) techniques have identified potential hit compounds that mimic its binding interactions with biological targets. These computational approaches have accelerated the discovery process by narrowing down candidates for further experimental validation.
The role of CAS No. 2222-33-5 in biochemical research extends beyond its direct pharmacological applications. It serves as a valuable tool for understanding molecular recognition processes at the atomic level. X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy studies have provided insights into how this compound interacts with proteins and other biomolecules. These structural insights are crucial for designing molecules with improved efficacy and reduced side effects.
The future prospects of 5-Dibenzosuberenone in pharmaceutical development are promising. Ongoing research aims to elucidate its mechanism of action in greater detail and explore new therapeutic indications. Collaborative efforts between synthetic chemists, biochemists, and clinicians are essential to translate laboratory findings into clinical applications. The compound's unique properties position it as a cornerstone in the quest for innovative treatments.
In conclusion, 5-Dibenzosuberenone, identified by CAS No. 2222-33-5, is a multifaceted compound with significant implications for pharmaceutical research. Its structural features, biological activities, and synthetic accessibility make it a compelling subject for further investigation. As our understanding of molecular mechanisms continues to evolve, compounds like this will play an increasingly vital role in addressing complex diseases and improving patient outcomes.
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