Cas no 52763-16-3 (3,4,4-trimethylpent-1-yne)
3,4,4-trimethylpent-1-yne Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentyne, 3,4,4-trimethyl-
- 3,4,4-trimethylpent-1-yne
- DTXSID80502815
- EN300-1838641
- 52763-16-3
-
- Inchi: 1S/C8H14/c1-6-7(2)8(3,4)5/h1,7H,2-5H3
- InChI Key: YVCDGUFZWJTGJM-UHFFFAOYSA-N
- SMILES: C(C)(C)(C)C(C#C)C
Computed Properties
- Exact Mass: 110.10962
- Monoisotopic Mass: 110.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 106
- 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: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
3,4,4-trimethylpent-1-yne Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1838641-0.05g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 0.05g |
$768.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-0.1g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 0.1g |
$804.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-0.25g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 0.25g |
$840.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-0.5g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 0.5g |
$877.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-1.0g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 1g |
$1172.0 | 2023-06-02 | ||
| Enamine | EN300-1838641-2.5g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 2.5g |
$1791.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-5.0g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 5g |
$3396.0 | 2023-06-02 | ||
| Enamine | EN300-1838641-10.0g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 10g |
$5037.0 | 2023-06-02 | ||
| Enamine | EN300-1838641-1g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 1g |
$914.0 | 2023-09-19 | ||
| Enamine | EN300-1838641-5g |
3,4,4-trimethylpent-1-yne |
52763-16-3 | 5g |
$2650.0 | 2023-09-19 |
3,4,4-trimethylpent-1-yne Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
Additional information on 3,4,4-trimethylpent-1-yne
Recent Advances in the Study of 3,4,4-Trimethylpent-1-yne (CAS: 52763-16-3) in Chemical and Biomedical Research
3,4,4-Trimethylpent-1-yne (CAS: 52763-16-3) is a specialized alkyne compound that has garnered significant attention in recent chemical and biomedical research due to its unique structural properties and potential applications. This research brief aims to synthesize the latest findings related to this compound, focusing on its synthesis, reactivity, and emerging roles in drug discovery and material science. The compound's distinct branching and alkyne functionality make it a valuable intermediate in organic synthesis and a candidate for further exploration in biomedical contexts.
Recent studies have highlighted the utility of 3,4,4-trimethylpent-1-yne in catalytic transformations, particularly in metal-catalyzed coupling reactions. For instance, its use in palladium-catalyzed Sonogashira couplings has been explored to construct complex molecular architectures with applications in pharmaceuticals. The compound's steric hindrance, conferred by the trimethyl groups, has been shown to influence reaction selectivity, offering new avenues for stereocontrolled synthesis. Additionally, its stability under various reaction conditions makes it a reliable building block for high-value chemical intermediates.
In the biomedical realm, preliminary investigations suggest that derivatives of 3,4,4-trimethylpent-1-yne may exhibit bioactive properties. Researchers have synthesized and screened analogs for antimicrobial and anti-inflammatory activities, with some compounds demonstrating promising in vitro efficacy. The alkyne moiety, in particular, has been leveraged for click chemistry applications, enabling the modular assembly of drug candidates or probes for biological target identification. These developments underscore the compound's versatility as a scaffold in medicinal chemistry.
Material science applications have also emerged, with 3,4,4-trimethylpent-1-yne serving as a precursor for functionalized polymers and coatings. Its incorporation into polymer backbones has been shown to enhance thermal stability and mechanical properties, making it relevant for industrial applications. Furthermore, the compound's potential in surface modification strategies, such as self-assembled monolayers (SAMs), is being investigated for sensor development and nanotechnology.
Despite these advances, challenges remain in optimizing the scalability of 3,4,4-trimethylpent-1-yne synthesis and elucidating its mechanistic roles in complex reactions. Future research directions may include computational studies to predict reactivity patterns, as well as expanded biological screening to identify therapeutic leads. Collaborative efforts between chemists and biologists will be critical to unlocking the full potential of this compound in both fundamental and applied contexts.
In conclusion, 3,4,4-trimethylpent-1-yne (CAS: 52763-16-3) represents a multifaceted tool in contemporary research, bridging gaps between synthetic chemistry and biomedical innovation. Its continued exploration promises to yield novel insights and applications, reinforcing its importance in the chemical and pharmaceutical industries.
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