Cas no 51270-90-7 (2-(1-chloroethyl)-1,3,5-trimethylbenzene)
2-(1-chloroethyl)-1,3,5-trimethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(1-chloroethyl)-1,3,5-trimethyl-
- 2-(1-chloroethyl)-1,3,5-trimethylbenzene
- CS-0250692
- BCA27090
- 51270-90-7
- EN300-51898
- G44938
- DTXSID10505753
- SCHEMBL18567679
-
- Inchi: 1S/C11H15Cl/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6,10H,1-4H3
- InChI Key: TXQDZFRXFDSOIO-UHFFFAOYSA-N
- SMILES: ClC(C)C1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 182.08635
- Monoisotopic Mass: 182.0862282g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 132
- 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: 3.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
2-(1-chloroethyl)-1,3,5-trimethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C306140-25mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 25mg |
$ 70.00 | 2022-06-01 | ||
| TRC | C306140-50mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 50mg |
$ 95.00 | 2022-06-01 | ||
| TRC | C306140-250mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 250mg |
$ 365.00 | 2022-06-01 | ||
| Chemenu | CM460366-100mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95%+ | 100mg |
$180 | 2022-06-11 | |
| Chemenu | CM460366-250mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95%+ | 250mg |
$246 | 2022-06-11 | |
| Chemenu | CM460366-500mg |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95%+ | 500mg |
$444 | 2022-06-11 | |
| Chemenu | CM460366-1g |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95%+ | 1g |
$592 | 2022-06-11 | |
| Enamine | EN300-51898-0.05g |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95% | 0.05g |
$88.0 | 2023-02-10 | |
| Enamine | EN300-51898-0.1g |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95% | 0.1g |
$132.0 | 2023-02-10 | |
| Enamine | EN300-51898-0.25g |
2-(1-chloroethyl)-1,3,5-trimethylbenzene |
51270-90-7 | 95% | 0.25g |
$188.0 | 2023-02-10 |
2-(1-chloroethyl)-1,3,5-trimethylbenzene Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on 2-(1-chloroethyl)-1,3,5-trimethylbenzene
Professional Introduction to 2-(1-chloroethyl)-1,3,5-trimethylbenzene (CAS No. 51270-90-7)
2-(1-chloroethyl)-1,3,5-trimethylbenzene, a compound with the chemical identifier CAS No. 51270-90-7, is a significant molecule in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of alkylated aromatic hydrocarbons, characterized by its unique structural properties that make it a valuable intermediate in synthetic chemistry and potential applications in medicinal chemistry.
The molecular structure of 2-(1-chloroethyl)-1,3,5-trimethylbenzene consists of a benzene ring substituted with three methyl groups at the 1, 3, and 5 positions, along with a 1-chloroethyl group attached to the 2-position. This specific arrangement imparts distinct reactivity and functionalization possibilities, making it a versatile building block for the synthesis of more complex molecules.
In recent years, there has been growing interest in the applications of this compound in pharmaceutical research. The presence of both electron-donating methyl groups and an electron-withdrawing chloroethyl substituent creates a balance of reactivity that is conducive to various chemical transformations. These transformations include nucleophilic substitution reactions, which are particularly useful in the development of novel drug candidates.
One of the most compelling aspects of 2-(1-chloroethyl)-1,3,5-trimethylbenzene is its potential role in the synthesis of biologically active compounds. Researchers have leveraged its structural features to develop intermediates for drugs targeting various therapeutic areas. For instance, studies have explored its use in creating compounds with anti-inflammatory and anticancer properties. The chloroethyl group can be further functionalized to introduce other pharmacophores, enhancing the biological activity of the resulting molecules.
The synthesis of 2-(1-chloroethyl)-1,3,5-trimethylbenzene typically involves multi-step organic reactions starting from commercially available precursors. The process often begins with the Friedel-Crafts alkylation of trimethylbenzene (mesitylene) to introduce methyl groups at specific positions on the benzene ring. Subsequent chlorination and ethylation steps then yield the desired product. Advances in catalytic methods have improved the efficiency and selectivity of these reactions, making the synthesis more scalable and cost-effective.
The compound's stability under various reaction conditions also makes it a preferred choice for industrial applications. Its resistance to decomposition at elevated temperatures ensures that it can be used in high-temperature synthetic processes without significant degradation. This stability is particularly important in large-scale manufacturing where maintaining product integrity is crucial.
In addition to its pharmaceutical applications, 2-(1-chloroethyl)-1,3,5-trimethylbenzene has found utility in materials science. Its aromatic structure and substituents contribute to its solubility in organic solvents, making it suitable for use as a ligand or catalyst in various chemical reactions. Researchers have also explored its potential as a precursor for polymers and coatings due to its ability to form stable cross-linked networks.
The safety profile of CAS No. 51270-90-7 is another critical consideration in its application. While it is not classified as a hazardous material under standard regulatory guidelines, proper handling procedures must be followed to ensure worker safety. This includes using appropriate personal protective equipment (PPE) and working in well-ventilated areas to minimize exposure.
The environmental impact of using this compound is also an area of ongoing research. Efforts are being made to develop greener synthetic routes that reduce waste and minimize environmental footprint. For example, biocatalytic methods are being explored as alternatives to traditional chemical synthesis for producing intermediates like 2-(1-chloroethyl)-1,3,5-trimethylbenzene.
The future prospects for this compound are promising, with ongoing research uncovering new applications and synthetic methodologies. As our understanding of molecular interactions grows, so does the potential for developing innovative drug candidates and materials based on its structural framework. Collaborative efforts between academia and industry are essential to translate these findings into practical applications that benefit society.
In conclusion, 2-(1-chloroethyl)-1,3,5-trimethylbenzene (CAS No. 51270-90-7) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structural features enable diverse chemical transformations and biological activities, making it a valuable asset in modern chemistry research.
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