Cas no 63828-97-7 (1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)-)
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)-
- 63828-97-7
- 2-Bromo-1-(3,4-dimethoxyphenyl)dodecan-1-one
-
- Inchi: 1S/C20H31BrO3/c1-4-5-6-7-8-9-10-11-12-17(21)20(22)16-13-14-18(23-2)19(15-16)24-3/h13-15,17H,4-12H2,1-3H3
- InChI Key: CBSAPZHUJAXJMS-UHFFFAOYSA-N
- SMILES: BrC(C(C1C=CC(=C(C=1)OC)OC)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 398.14573
- Monoisotopic Mass: 398.14566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 13
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019133831-1g |
2-Bromo-1-(3,4-dimethoxy-phenyl)-dodecan-1-one |
63828-97-7 | 95% | 1g |
$715.85 | 2023-09-01 | |
| Crysdot LLC | CD12048882-1g |
2-Bromo-1-(3,4-dimethoxyphenyl)dodecan-1-one |
63828-97-7 | 95+% | 1g |
$653 | 2024-07-24 |
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on 1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)-
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- (CAS No. 63828-97-7): A Comprehensive Overview
The chemical compound 1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- (CAS No. 63828-97-7) is a specialized organic molecule with unique structural and functional properties. This brominated derivative of dodecanone, featuring a 3,4-dimethoxyphenyl group, has garnered attention in various research and industrial applications due to its distinct chemical behavior. In this article, we delve into its properties, synthesis, applications, and market trends, while addressing common queries and emerging topics in the field.
Chemical Properties and Structure
The molecular formula of 1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- is C20H31BrO3, with a molecular weight of approximately 399.36 g/mol. The presence of the bromo and dimethoxyphenyl groups imparts significant reactivity, making it a valuable intermediate in organic synthesis. Its structure combines a long alkyl chain (dodecanone) with an aromatic ring, offering a balance of hydrophobicity and electronic effects.
Synthesis and Production
The synthesis of 2-bromo-1-(3,4-dimethoxyphenyl)-1-dodecanone typically involves bromination of the corresponding ketone precursor under controlled conditions. Researchers often employ electrophilic aromatic substitution or Friedel-Crafts acylation to introduce the dimethoxyphenyl moiety. Recent advancements in green chemistry have explored solvent-free or catalytic methods to improve yield and reduce environmental impact, aligning with the growing demand for sustainable practices.
Applications in Research and Industry
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- is primarily utilized as a building block in pharmaceutical and agrochemical research. Its unique structure enables the development of novel compounds with potential biological activity. For instance, derivatives of this compound have been investigated for their role in drug discovery, particularly in targeting enzymes or receptors associated with metabolic disorders. Additionally, its use in material science, such as liquid crystals or polymer additives, is an area of ongoing exploration.
Market Trends and Demand
The global market for specialized organic intermediates like 2-bromo-1-(3,4-dimethoxyphenyl)-1-dodecanone is expanding, driven by advancements in pharmaceutical R&D and fine chemicals. Suppliers and manufacturers are focusing on high-purity grades to meet the stringent requirements of research institutions and industries. Online searches for "CAS 63828-97-7 suppliers" or "buy 2-bromo-1-(3,4-dimethoxyphenyl)-1-dodecanone" reflect the compound's niche but growing demand.
Safety and Handling
While 1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- is not classified as hazardous under standard regulations, proper laboratory practices should be followed. Users often search for "MSDS for 63828-97-7" or "handling precautions for brominated ketones," emphasizing the need for clear safety guidelines. Storage in cool, dry conditions and the use of personal protective equipment (PPE) are recommended.
Future Prospects and Research Directions
The compound's versatility positions it as a candidate for further exploration in medicinal chemistry and catalysis. Emerging trends, such as the integration of AI-driven molecular design, may accelerate the discovery of new applications. Researchers are also investigating its potential in renewable energy technologies, such as organic photovoltaics, where its electronic properties could be harnessed.
Conclusion
1-Dodecanone, 2-bromo-1-(3,4-dimethoxyphenyl)- (CAS No. 63828-97-7) represents a fascinating intersection of organic chemistry and applied science. Its multifaceted applications, coupled with evolving market demands, underscore its relevance in contemporary research. By addressing common queries and aligning with industry trends, this overview aims to serve as a valuable resource for chemists, procurement specialists, and enthusiasts alike.
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