Cas no 165894-37-1 (Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester)
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester
- CS-0069222
- tert-butyl 2-hydroxyethyl(prop-2-ynyl)carbamate
- tert-Butyl (2-hydroxyethyl)(prop-2-yn-1-yl)carbamate
- SCHEMBL1143116
- RXUWQDCWEGBAOU-UHFFFAOYSA-N
- tert-butyl N-(2-hydroxyethyl)-N-prop-2-ynylcarbamate
- tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate
- D73793
- EN300-4305507
- 165894-37-1
-
- Inchi: 1S/C10H17NO3/c1-5-6-11(7-8-12)9(13)14-10(2,3)4/h1,12H,6-8H2,2-4H3
- InChI Key: RXUWQDCWEGBAOU-UHFFFAOYSA-N
- SMILES: O(C(N(CC#C)CCO)=O)C(C)(C)C
Computed Properties
- Exact Mass: 199.12091
- Monoisotopic Mass: 199.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 234
- 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: 0.5
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.77
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM536216-1g |
tert-Butyl (2-hydroxyethyl)(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95%+ | 1g |
$1128 | 2023-02-02 | |
| Enamine | EN300-4305507-0.05g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 0.05g |
$91.0 | 2025-03-15 | |
| Enamine | EN300-4305507-0.1g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 0.1g |
$136.0 | 2025-03-15 | |
| Enamine | EN300-4305507-0.25g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 0.25g |
$194.0 | 2025-03-15 | |
| Enamine | EN300-4305507-0.5g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 0.5g |
$363.0 | 2025-03-15 | |
| Enamine | EN300-4305507-1.0g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 1.0g |
$485.0 | 2025-03-15 | |
| Enamine | EN300-4305507-2.5g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 2.5g |
$949.0 | 2025-03-15 | |
| Enamine | EN300-4305507-5.0g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 5.0g |
$1406.0 | 2025-03-15 | |
| Enamine | EN300-4305507-10.0g |
tert-butyl N-(2-hydroxyethyl)-N-(prop-2-yn-1-yl)carbamate |
165894-37-1 | 95.0% | 10.0g |
$2085.0 | 2025-03-15 | |
| 1PlusChem | 1P01FMLY-1g |
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester |
165894-37-1 | 97% | 1g |
$1671.00 | 2023-12-20 |
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester (CAS No. 165894-37-1): A Comprehensive Overview
Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester (CAS No. 165894-37-1) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, characterized by its unique structural features, exhibits promising properties that make it a valuable candidate for various applications in drug development and synthetic chemistry. The molecular structure of this ester includes a carbamic acid moiety linked to a 2-hydroxyethyl group and a 2-propynyl substituent, further stabilized by a 1,1-dimethylethyl protective group. These structural elements contribute to its reactivity and potential utility in complex synthetic pathways.
The significance of this compound lies in its versatility as a building block in organic synthesis. The presence of both hydrophilic and lipophilic groups enhances its solubility and interaction with biological systems, making it an attractive candidate for drug design. Recent studies have highlighted the compound's role in the synthesis of novel heterocyclic compounds, which are known for their diverse pharmacological activities. For instance, derivatives of this ester have been explored as intermediates in the development of kinase inhibitors, which are critical in treating various forms of cancer and inflammatory diseases.
In the realm of medicinal chemistry, the (2-hydroxyethyl) group in Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester plays a crucial role in modulating the compound's pharmacokinetic properties. This functionality allows for better absorption and distribution within the body, while also facilitating interactions with biological targets. Additionally, the 2-propynyl substituent introduces a reactive site that can be further modified to enhance binding affinity and selectivity. Such modifications are essential for developing drugs with improved efficacy and reduced side effects.
The protective group, 1,1-dimethylethyl, is strategically placed to prevent unwanted reactions during synthesis while maintaining the integrity of the core structure. This protective strategy is particularly useful in multi-step synthetic routes where selectivity is paramount. The ability to shield reactive sites while allowing for controlled modifications has made this compound a preferred choice for chemists working on complex molecular architectures.
Recent advancements in computational chemistry have further elucidated the potential applications of Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester. Molecular modeling studies have demonstrated its suitability as a scaffold for designing small-molecule inhibitors targeting protein-protein interactions. These interactions are often implicated in various diseases, including neurodegenerative disorders and autoimmune conditions. The compound's ability to disrupt these interactions without affecting other biological pathways makes it a promising candidate for therapeutic intervention.
The role of this compound in drug development is further underscored by its incorporation into several clinical trials investigating novel therapeutic agents. While preliminary results are still being analyzed, early data suggest that derivatives of this ester exhibit significant potential in modulating disease-related pathways. For example, studies have shown that certain analogs can inhibit the activity of enzymes involved in inflammation and oxidative stress, two key mechanisms implicated in chronic diseases.
Beyond its pharmaceutical applications, Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester has also found utility in materials science. Its unique structural features make it an excellent candidate for developing advanced polymers and coatings with enhanced durability and functionality. Researchers have explored its use in creating biodegradable polymers that can be tailored for specific medical applications, such as drug delivery systems and tissue engineering scaffolds.
The synthesis of this compound involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advances in synthetic methodologies have enabled more efficient production processes, making it more accessible for research and industrial applications. Techniques such as catalytic hydrogenation and asymmetric synthesis have been particularly useful in optimizing the synthetic route while minimizing unwanted byproducts.
The future prospects of Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester are promising given its multifaceted utility across different fields. Ongoing research aims to expand its applications by exploring new derivatives and synthetic pathways. Collaborative efforts between academia and industry are expected to accelerate the translation of laboratory findings into practical solutions for real-world challenges.
In conclusion, Carbamic acid, (2-hydroxyethyl)-2-propynyl-, 1,1-dimethylethyl ester (CAS No. 165894-37-1) is a versatile compound with significant potential in pharmaceuticals, materials science, and beyond. Its unique structural features and reactivity make it an invaluable tool for researchers seeking innovative solutions to complex problems. As our understanding of its properties continues to grow, so too will its applications across various scientific disciplines.
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