Cas no 165120-40-1 (2-Bromo-1-(4-chlorophenyl)ethanone)
2-Bromo-1-(4-chlorophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-1-(4-chlorophenyl)ethanone
- 2-Bromo-4'-chloroacetophenone
- 3-Amino-4-butyl-5-mercapto-1,2,4-triazol
- 3-amino-4-butylamino-2-chloroquinoline
- 4-Butyl-5-imino-1,2,4-triazolidine-3-thione
- N4-butyl-2-chloro-quinoline-3,4-diamine
- N'-Butyl-2-chloroquinoline-3,4-diamine
- N4-Butyl-2-chloro-3,4-quinolinediamine
- 165120-40-1
- IVBNBYJFBYVFEA-UHFFFAOYSA-N
- F12771
- SB68619
- n4-butyl-2-chloroquinoline-3,4-diamine
- 3,4-Quinolinediamine, N4-butyl-2-chloro-
- SCHEMBL6719555
-
- Inchi: 1S/C13H16ClN3/c1-2-3-8-16-12-9-6-4-5-7-10(9)17-13(14)11(12)15/h4-7H,2-3,8,15H2,1H3,(H,16,17)
- InChI Key: IVBNBYJFBYVFEA-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=C2C=CC=CC2=N1)NCCCC)N
Computed Properties
- Exact Mass: 231.92900
- Monoisotopic Mass: 249.1032752g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 237
- 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: 3.7
- Topological Polar Surface Area: 50.9?2
Experimental Properties
- Density: 1.248±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 289.7 °C at 760 mmHg
- Flash Point: 129 °C
- Refractive Index: 1.584
- Solubility: Insuluble (7.5E-3 g/L) (25 oC),
- PSA: 17.07000
- LogP: 2.91760
2-Bromo-1-(4-chlorophenyl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A876178-100g |
N4-Butyl-2-chloroquinoline-3,4-diamine |
165120-40-1 | 97% | 100g |
$47.0 | 2024-04-23 |
2-Bromo-1-(4-chlorophenyl)ethanone Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
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
-
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
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Additional information on 2-Bromo-1-(4-chlorophenyl)ethanone
Professional Introduction to 2-Bromo-1-(4-chlorophenyl)ethanone (CAS No. 165120-40-1)
2-Bromo-1-(4-chlorophenyl)ethanone, identified by its Chemical Abstracts Service (CAS) number 165120-40-1, is a significant compound in the realm of organic synthesis and pharmaceutical research. This molecule, featuring a bromo and chloro substituent on a phenyl ring coupled with an acetyl group, has garnered attention due to its versatile applications in medicinal chemistry and material science. The structural motif of this compound positions it as a valuable intermediate in the synthesis of more complex molecules, particularly in the development of novel therapeutic agents.
The bromo and chloro functional groups present in 2-Bromo-1-(4-chlorophenyl)ethanone contribute to its reactivity, making it a useful building block for further chemical transformations. These halogen atoms can participate in various reactions such as cross-coupling, nucleophilic substitution, and elimination processes, which are fundamental in constructing intricate molecular architectures. In recent years, the pharmaceutical industry has increasingly leveraged such halogenated aromatic ketones to develop innovative drugs targeting diverse biological pathways.
One of the most compelling aspects of 2-Bromo-1-(4-chlorophenyl)ethanone is its role in the synthesis of small-molecule inhibitors. For instance, studies have demonstrated its utility in generating kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The phenyl ring and acetyl group provide a scaffold that can be modified to enhance binding affinity to specific protein targets. Researchers have reported the use of this compound in designing molecules that selectively inhibit tyrosine kinases, a class of enzymes overexpressed in many malignancies.
Recent advancements in drug discovery have highlighted the importance of 2-Bromo-1-(4-chlorophenyl)ethanone in fragment-based drug design. This approach involves identifying small, low-molecular-weight compounds that bind to the active site of a target protein and then optimizing these fragments through iterative chemical modifications. The structural features of this ketone make it an ideal candidate for such strategies, as it can be easily functionalized to improve pharmacokinetic properties and reduce off-target effects.
The compound's significance extends beyond pharmaceutical applications. In materials science, 2-Bromo-1-(4-chlorophenyl)ethanone has been explored as a precursor for organic semiconductors and liquid crystals. Its ability to form stable radicals due to the presence of bromine allows for the development of novel materials with enhanced electronic properties. These materials are particularly relevant in the fabrication of organic light-emitting diodes (OLEDs) and photovoltaic devices, where efficient charge transport is essential.
In academic research, 2-Bromo-1-(4-chlorophenyl)ethanone has been utilized to study reaction mechanisms involving halogenated aromatic compounds. Researchers have employed this molecule to investigate the effects of substituents on reaction rates and selectivity, providing insights into how structure influences chemical behavior. Such studies are crucial for developing more efficient synthetic methodologies and understanding the fundamental principles governing organic reactions.
The versatility of 2-Bromo-1-(4-chlorophenyl)ethanone is further underscored by its application in synthesizing bioactive natural products. By serving as a key intermediate, this compound enables chemists to construct complex scaffolds that mimic natural products with known biological activities. This approach has led to the discovery of new therapeutic candidates with improved efficacy and reduced toxicity compared to existing treatments.
As research continues to evolve, the demand for high-quality intermediates like 2-Bromo-1-(4-chlorophenyl)ethanone is expected to grow. The compound's ability to bridge gaps between simple starting materials and complex drug candidates makes it indispensable in modern synthetic chemistry. Collaborative efforts between academia and industry are likely to drive further innovation, leveraging this molecule to address unmet medical needs and push the boundaries of material science.
In conclusion, 2-Bromo-1-(4-chlorophenyl)ethanone (CAS No. 165120-40-1) represents a cornerstone in synthetic organic chemistry with far-reaching implications for drug development and material innovation. Its unique structural features and reactivity profile ensure its continued relevance in both academic research and industrial applications. As scientists delve deeper into the possibilities offered by this compound, we can anticipate exciting breakthroughs that will shape the future of medicine and technology.
165120-40-1 (2-Bromo-1-(4-chlorophenyl)ethanone) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)