Cas no 324008-66-4 (1-isocyanato-2-methoxy-3-methylbenzene)
1-isocyanato-2-methoxy-3-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-isocyanato-2-methoxy-3-methyl-
- Benzene, 1-isocyanato-2-methoxy-3-methyl- (9CI)
- 1-isocyanato-2-methoxy-3-methylbenzene
- 324008-66-4
- DTXSID30666739
- SCHEMBL4881971
- EN300-1838988
-
- Inchi: 1S/C9H9NO2/c1-7-4-3-5-8(10-6-11)9(7)12-2/h3-5H,1-2H3
- InChI Key: KOMWTBYKWFLQDE-UHFFFAOYSA-N
- SMILES: O(C)C1C(=CC=CC=1C)N=C=O
Computed Properties
- Exact Mass: 163.06337
- Monoisotopic Mass: 163.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 187
- 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
- Topological Polar Surface Area: 38.7A^2
- XLogP3: 3.1
Experimental Properties
- PSA: 38.66
1-isocyanato-2-methoxy-3-methylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1838988-1g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 1g |
$1029.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-5g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 5g |
$2981.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-10g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 10g |
$4421.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-0.05g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 0.05g |
$864.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-0.1g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 0.1g |
$904.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-0.25g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 0.25g |
$946.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-0.5g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 0.5g |
$987.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-1.0g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 1g |
$1029.0 | 2023-06-02 | ||
| Enamine | EN300-1838988-2.5g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 2.5g |
$2014.0 | 2023-09-19 | ||
| Enamine | EN300-1838988-5.0g |
1-isocyanato-2-methoxy-3-methylbenzene |
324008-66-4 | 5g |
$2981.0 | 2023-06-02 |
1-isocyanato-2-methoxy-3-methylbenzene Related Literature
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
Additional information on 1-isocyanato-2-methoxy-3-methylbenzene
1-Isocyanato-2-Methoxy-3-Methylbenzene: A Comprehensive Overview
The compound with CAS No 324008-66-4, commonly known as 1-isocyanato-2-methoxy-3-methylbenzene, is a highly specialized aromatic compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines an isocyanato group (-NCO) at the 1-position, a methoxy group (-OCH?) at the 2-position, and a methyl group (-CH?) at the 3-position on a benzene ring. The combination of these functional groups imparts distinctive chemical properties, making it a valuable molecule for various applications.
1-isocyanato-2-methoxy-3-methylbenzene has been extensively studied for its role in polymer chemistry. Recent research has highlighted its potential as a building block for synthesizing advanced polymers and coatings. The isocyanato group is particularly reactive, enabling the formation of strong covalent bonds with other molecules, such as alcohols or amines. This reactivity makes it an ideal candidate for applications in adhesives, sealants, and polyurethane production. Furthermore, the methoxy and methyl groups contribute to the compound's stability and solubility, enhancing its versatility in different chemical environments.
One of the most promising areas of research involving 1-isocyanato-2-methoxy-3-methylbenzene is its application in nanotechnology. Scientists have explored its use as a precursor for synthesizing graphene oxide derivatives. The compound's ability to form stable bonds with carbon-based materials has opened new avenues for developing lightweight, high-strength composites. These materials have potential applications in aerospace, automotive industries, and electronic devices.
In addition to its industrial applications, 1-isocyanato-2-methoxy-3-methylbenzene has also been investigated for its biological properties. Recent studies suggest that this compound exhibits moderate antioxidant activity, which could be beneficial in pharmaceutical formulations. Its ability to scavenge free radicals makes it a potential candidate for developing drugs targeting oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases.
The synthesis of 1-isocyanato-2-methoxy-3-methylbenzene involves a multi-step process that typically begins with the nitration of methylbenzene (toluene) followed by selective substitution reactions to introduce the methoxy and isocyanato groups. Researchers have optimized these steps to improve yield and purity, ensuring that the compound meets the stringent requirements of modern industrial applications.
From an environmental perspective, 1-isocyanato-2-methoxy-3-methylbenzene has been evaluated for its biodegradability and toxicity. Studies indicate that it undergoes slow degradation under aerobic conditions but poses minimal risk to aquatic life when handled responsibly. These findings underscore the importance of implementing proper waste management practices during its production and use.
In conclusion, 1-isocyanato-2-methoxy-3-methylbenzene (CAS No 324008-66-4) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in polymer chemistry, nanotechnology, and pharmaceutical research. As ongoing studies continue to uncover new properties and uses for this compound, its significance in both academic and industrial settings is expected to grow further.
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