Cas no 64285-06-9 (Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl-)
Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl-
- (+)-Anatoxin-a
- (+)-Anatoxin A
- (+/-)-2-ACETYL-9-AZA BICYCLO[4.2.1]NON-2-ENE FUMARATE
- (+/-)-ANATOXIN A FUMARATE
- (±)-Anatoxin A fumarate,(±)-2-Acetyl-9-azabicyclo[4.2.1]non-2-enefumarate
- 1-(9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone
- Anatoxin-a solution
- (±)-2-Acetyl-9-azabicyclo[4.2.1]non-2-enefuMarate
- (±)-Anatoxin A fuMarate
- Anatoxin 1
- anatoxini
- Antx-a
- Anatoxin
- BRN 5477454
- Ethanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1R)-
- 4P0
- AKOS006275277
- DTXSID50867064
- ANATOXIN A [HSDB]
- UNII-80023A73NK
- (+)-Anatoxin alpha
- Anatoxin-a Calibration Solution CRM
- PDSP1_000464
- 80023A73NK
- NS00075462
- 1-((1R,6R,E)-9-azabicyclo[4.2.1]non-2-en-2-yl)ethanone
- 64285-06-9
- (+)-AnatoxinA
- Ethanone, 1-(1R,6R)-9-azabicyclo(4.2.1)non-2-en-2-yl-
- 1-[(1r,6r)-9-Azabicyclo[4.2.1]non-2-En-2-Yl]ethanone
- HSDB 7750
- CS-0877541
- CHEMBL2332144
- Anatoxin A
- C10841
- SCHEMBL13589890
- Anatoxin-a calibration solution CRM(0.5ml/Ampoule)
- HY-W795027
- 1-(9-AZABICYCLO(4.2.1)NON-2-EN-2-YL)ETHAN-1-ONE
- (+/-)-Anatoxin A
- 1-(9-AZABICYCLO(4.2.1)NON-4-EN-5-YL)ETHANONE
- BDBM50428369
- 1-((1R,6R)-9-AZABICYCLO(4.2.1)NON-4-EN-5-YL)ETHANONE
- Anatoxin I
- ANATOXIN A [MI]
- 1-[(1R,6R)-9-Azabicyclo[4.2.1]non-2-en-2-yl]ethan-1-one
- Anatoxin-a
- (+)-ANATOXIN .ALPHA.
- Anatoxin alpha
- 64314-16-5
-
- Inchi: 1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1
- InChI Key: SGNXVBOIDPPRJJ-PSASIEDQSA-N
- SMILES: O=C(C)C1=CCC[C@@H]2CC[C@H]1N2
Computed Properties
- Exact Mass: 165.11500
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.0203 (rough estimate)
- Boiling Point: 293.09°C (rough estimate)
- Refractive Index: 1.5200 (estimate)
- PSA: 29.10000
- LogP: 1.74500
- pka: 9.4(at 25℃)
- Specific Rotation: D25 +39.8°
Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- Security Information
- Toxicity:LD50 i.p. in mice: 200 mg/kg (Carmichael)
Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-200185-1 mg |
(±)-Anatoxin A Fumarate, |
64285-06-9 | ≥96% | 1mg |
¥1,880.00 | 2023-07-10 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-200185-1mg |
(±)-Anatoxin A Fumarate, |
64285-06-9 | ≥96% | 1mg |
¥1880.00 | 2023-09-05 |
Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on Ethanone,1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl-
Introduction to Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- (CAS No. 64285-06-9)
Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- (CAS No. 64285-06-9) is a unique and versatile compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry. This compound, also known as (1R,6R)-N-methyl-9-azabicyclo[4.2.1]nonan-2-one, belongs to the class of azabicyclic compounds and exhibits a range of interesting properties that make it a valuable intermediate in the synthesis of various pharmaceuticals and bioactive molecules.
The molecular structure of Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- is characterized by a nine-membered ring containing a nitrogen atom and a ketone group. The presence of the nitrogen atom imparts basicity to the molecule, while the ketone group provides opportunities for further functionalization and reactivity. The stereochemistry of the compound, specifically the (1R,6R) configuration, is crucial for its biological activity and reactivity in synthetic transformations.
Recent research has highlighted the potential applications of Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- in the development of new therapeutic agents. For instance, studies have shown that derivatives of this compound exhibit potent anti-inflammatory and analgesic properties, making them promising candidates for the treatment of chronic pain and inflammatory diseases. Additionally, the compound's ability to modulate specific biological pathways has led to its exploration in the context of neurodegenerative disorders and cancer therapy.
In terms of synthetic methodologies, Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- can be synthesized through a variety of routes, including ring-closing metathesis (RCM) and intramolecular Mannich reactions. These methods allow for precise control over the stereochemistry and functional group placement, enabling the preparation of enantiomerically pure forms of the compound. The ability to synthesize enantiomerically pure forms is particularly important in pharmaceutical applications where enantiomeric purity can significantly impact drug efficacy and safety.
The physical properties of Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- include its melting point, boiling point, and solubility in various solvents. These properties are essential for optimizing its use in chemical reactions and formulations. For example, its solubility in polar solvents such as methanol and dimethyl sulfoxide (DMSO) makes it suitable for use in solution-phase synthesis and biological assays.
The stability of Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- under different conditions is another important aspect to consider. Studies have shown that the compound is stable under standard laboratory conditions but may undergo degradation when exposed to strong acids or bases or high temperatures. Understanding these stability issues is crucial for ensuring the reliability and reproducibility of experimental results.
In addition to its direct applications in pharmaceuticals, Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- serves as a valuable building block in combinatorial chemistry and high-throughput screening (HTS) campaigns. Its unique structural features make it an attractive starting material for generating diverse libraries of compounds with potential therapeutic activity.
The environmental impact of Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- is also an area of ongoing research. Efforts are being made to develop more sustainable synthetic methods that minimize waste generation and reduce environmental footprint. Green chemistry principles are increasingly being applied to the synthesis of this compound to ensure that it can be produced in an environmentally friendly manner.
In conclusion, Ethanone, 1-(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl- (CAS No. 64285-06-9) is a multifaceted compound with significant potential in both academic research and industrial applications. Its unique structural features and versatile reactivity make it an important intermediate in the synthesis of bioactive molecules and pharmaceuticals. Ongoing research continues to uncover new applications and optimize synthetic methods for this intriguing compound.
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