Cas no 175277-95-9 (1-Ethyl-2-iodo-3-methylbenzene)
1-Ethyl-2-iodo-3-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Ethyl-2-iodo-3-methylbenzene
- 2-Ethyl-6-methyliodobenzene
- 3-Ethyl-2-iodotoluene
- BUTTPARK 88\11-40
- 2-Ethyl-6-methyliodobenzene,98%
- MFCD00052855
- J-011097
- 175277-95-9
- AS-61581
- CS-0318417
- EN300-7654406
- Benzene, 1-ethyl-3-methyl-2-iodo
- FT-0607740
- DTXSID80370152
- AKOS015908739
- SCHEMBL1517219
- A881596
- Benzene, 1-ethyl-2-iodo-3-methyl-
- DB-010024
- G82477
-
- MDL: MFCD00052855
- Inchi: 1S/C9H11I/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3H2,1-2H3
- InChI Key: PCSPENCTMKMGFE-UHFFFAOYSA-N
- SMILES: IC1C(C)=CC=CC=1CC
Computed Properties
- Exact Mass: 245.99100
- Monoisotopic Mass: 245.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 101
- 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: 3.7
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: liquid
- Density: 1.5100 (rough estimate)
- Melting Point: 28°C (estimate)
- Boiling Point: 118-120 °C (15 mmHg)
- Flash Point: 118-120°C/15mm
- Refractive Index: 1.59-1.592
- PSA: 0.00000
- LogP: 3.16200
- Sensitiveness: Light Sensitive
- Solubility: Not determined
1-Ethyl-2-iodo-3-methylbenzene Customs Data
- HS CODE:2903999090
- Customs Data:
China Customs Code:
2903999090Overview:
2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
1-Ethyl-2-iodo-3-methylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019089021-25g |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 98% | 25g |
348.82 USD | 2021-06-17 | |
| Apollo Scientific | OR30116-10g |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 10g |
£88.00 | 2023-09-02 | ||
| Apollo Scientific | OR30116-25g |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 25g |
£132.00 | 2023-09-02 | ||
| TRC | E920610-50mg |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E920610-100mg |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E920610-500mg |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 500mg |
$ 95.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-FB015-1g |
1-Ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 98% | 1g |
¥308.0 | 2022-07-28 | |
| eNovation Chemicals LLC | D763390-5g |
Benzene, 1-ethyl-2-iodo-3-methyl- |
175277-95-9 | 97% | 5g |
$205 | 2023-09-02 | |
| Enamine | EN300-7654406-0.1g |
1-ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 95% | 0.1g |
$19.0 | 2024-05-22 | |
| Enamine | EN300-7654406-0.25g |
1-ethyl-2-iodo-3-methylbenzene |
175277-95-9 | 95% | 0.25g |
$19.0 | 2024-05-22 |
1-Ethyl-2-iodo-3-methylbenzene Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 1-Ethyl-2-iodo-3-methylbenzene
Professional Introduction to 1-Ethyl-2-iodo-3-methylbenzene (CAS No. 175277-95-9)
1-Ethyl-2-iodo-3-methylbenzene, identified by the Chemical Abstracts Service Number (CAS No.) 175277-95-9, is a significant organic compound that has garnered attention in the field of synthetic chemistry and pharmaceutical research. This compound, featuring a benzene ring substituted with ethyl, iodine, and methyl groups, serves as a versatile intermediate in the synthesis of various biologically active molecules. Its unique structural framework makes it a valuable building block for the development of novel therapeutic agents.
The molecular structure of 1-Ethyl-2-iodo-3-methylbenzene consists of a phenyl ring with an ethyl group at the 1-position, an iodine atom at the 2-position, and a methyl group at the 3-position. This arrangement imparts distinct electronic and steric properties to the molecule, which are highly relevant in medicinal chemistry. The presence of the iodine atom at the 2-position is particularly noteworthy, as it facilitates various cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, which are pivotal in constructing complex organic molecules.
In recent years, 1-Ethyl-2-iodo-3-methylbenzene has been extensively studied for its potential applications in drug discovery. Researchers have leveraged its reactivity to develop novel heterocyclic compounds, which exhibit promising biological activities. For instance, derivatives of this compound have been explored as intermediates in the synthesis of kinase inhibitors, which are crucial in treating cancers and inflammatory diseases. The ability to functionalize the benzene ring at multiple positions allows for the creation of a diverse array of analogs with tailored pharmacological properties.
One of the most compelling aspects of 1-Ethyl-2-iodo-3-methylbenzene is its role in facilitating transition-metal-catalyzed reactions. These reactions are indispensable in modern synthetic organic chemistry, enabling the efficient construction of complex molecular architectures. The iodine atom serves as an excellent leaving group in palladium-catalyzed cross-coupling reactions, allowing for the introduction of various substituents at different positions on the benzene ring. This flexibility has made it a preferred starting material for researchers aiming to develop structurally diverse libraries of compounds.
Moreover, 1-Ethyl-2-iodo-3-methylbenzene has been utilized in the synthesis of photoactive molecules. The combination of electron-withdrawing and electron-donating groups on the benzene ring influences its absorption and emission properties, making it suitable for applications in organic electronics and photodynamic therapy. Recent studies have demonstrated its efficacy in generating reactive oxygen species under light irradiation, which could be exploited for antimicrobial and anticancer treatments.
The pharmaceutical industry has also shown interest in 1-Ethyl-2-iodo-3-methylbenzene due to its potential as a precursor for antiviral and antibacterial agents. By modifying its structure through sequential functionalization, researchers have identified compounds with inhibitory activity against viral proteases and bacterial enzymes. These findings highlight the compound's versatility and underscore its importance in medicinal chemistry.
In conclusion, 1-Ethyl-2-iodo-3-methylbenzene (CAS No. 175277-95-9) is a multifaceted compound with significant implications in synthetic chemistry and drug development. Its unique structural features enable diverse chemical transformations, making it an invaluable tool for constructing biologically active molecules. As research continues to uncover new applications for this compound, its role in advancing pharmaceutical sciences is expected to grow even further.
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