Cas no 1612794-16-7 (benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate)
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate Chemical and Physical Properties
Names and Identifiers
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- CHEMBL4972037
- 1612794-16-7
- EN300-28286306
- benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
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- Inchi: 1S/C18H19NO2/c1-2-9-17(16-12-7-4-8-13-16)19-18(20)21-14-15-10-5-3-6-11-15/h2-8,10-13,17H,1,9,14H2,(H,19,20)/t17-/m0/s1
- InChI Key: ZBSDEVWSSMKYKL-KRWDZBQOSA-N
- SMILES: O(CC1C=CC=CC=1)C(N[C@H](C1C=CC=CC=1)CC=C)=O
Computed Properties
- Exact Mass: 281.141578849g/mol
- Monoisotopic Mass: 281.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 38.3?2
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-28286306-0.05g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 0.05g |
$1056.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-0.1g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 0.1g |
$1106.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-0.25g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 0.25g |
$1156.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-0.5g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 0.5g |
$1207.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-1.0g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 1g |
$1256.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-2.5g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 2.5g |
$2464.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-5.0g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 5g |
$3645.0 | 2023-05-24 | ||
| Enamine | EN300-28286306-10.0g |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate |
1612794-16-7 | 10g |
$5405.0 | 2023-05-24 |
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
Additional information on benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
Benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate (CAS No. 1612794-16-7): A Comprehensive Overview
Benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate (CAS No. 1612794-16-7) is a complex organic compound that has garnered significant attention in the fields of organic chemistry, pharmaceutical research, and medicinal chemistry. This compound, also known as benzyl (S)-phenylbut-3-enylcarbamate, is characterized by its unique structural features and potential applications in various scientific and industrial domains.
The molecular structure of benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate consists of a benzyl group attached to a carbamate moiety, which is further linked to an (S)-configured phenylbutenyl chain. This configuration imparts specific stereochemical properties that are crucial for its biological activity and reactivity. The compound's molecular formula is C18H20N2O2, and it has a molecular weight of approximately 296.36 g/mol.
Recent studies have highlighted the potential of benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate in various therapeutic applications. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent anti-inflammatory properties, making it a promising candidate for the development of new anti-inflammatory drugs. The compound's ability to inhibit key inflammatory pathways, such as the NF-κB signaling pathway, has been extensively investigated.
In addition to its anti-inflammatory properties, benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate has also shown potential as an antiviral agent. A study conducted by a team of researchers at the University of California, Los Angeles (UCLA) demonstrated that this compound effectively inhibits the replication of several RNA viruses, including influenza and coronaviruses. The mechanism of action involves the disruption of viral entry into host cells and the inhibition of viral protein synthesis.
The synthesis of benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate has been optimized using modern synthetic techniques, such as transition-metal-catalyzed cross-coupling reactions and asymmetric synthesis methods. These advancements have significantly improved the yield and purity of the final product, making it more accessible for both research and industrial applications.
In the context of pharmaceutical development, benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate has undergone preclinical testing to evaluate its safety and efficacy. Preclinical studies have shown that the compound is well-tolerated at therapeutic doses and exhibits low toxicity in animal models. These findings have paved the way for further clinical trials to assess its potential as a novel therapeutic agent.
The potential applications of benzyl N-[(1S)-1-phenylbut-3-en-y-l)carbamate extend beyond pharmaceuticals. In materials science, this compound has been explored for its use in the development of advanced polymers and coatings. Its unique chemical structure and reactivity make it suitable for incorporation into polymer matrices, enhancing their mechanical properties and chemical resistance.
In conclusion, benzyl N-[(S)-(1S)-1-phe-n-y-lb-u-t-e-n-e-n-y-l)carbamate (CAS No. 1612794-16-7) is a versatile organic compound with a wide range of potential applications in pharmaceuticals, materials science, and other fields. Ongoing research continues to uncover new properties and uses for this compound, solidifying its importance in modern scientific research.
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