Cas no 1934570-63-4 (3-(3-Bromo-2,2-dimethylpropyl)oxolane)
3-(3-Bromo-2,2-dimethylpropyl)oxolane Chemical and Physical Properties
Names and Identifiers
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- 3-(3-bromo-2,2-dimethylpropyl)oxolane
- 3-(3-Bromo-2,2-dimethylpropyl)oxolane
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- Inchi: 1S/C9H17BrO/c1-9(2,7-10)5-8-3-4-11-6-8/h8H,3-7H2,1-2H3
- InChI Key: ZEKJIBYAXYSXDD-UHFFFAOYSA-N
- SMILES: BrCC(C)(C)CC1COCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 123
- XLogP3: 2.8
- Topological Polar Surface Area: 9.2
3-(3-Bromo-2,2-dimethylpropyl)oxolane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B213141-100mg |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 100mg |
$ 230.00 | 2022-06-07 | ||
| TRC | B213141-500mg |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 500mg |
$ 865.00 | 2022-06-07 | ||
| TRC | B213141-1g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 1g |
$ 1340.00 | 2022-06-07 | ||
| Enamine | EN300-677900-0.05g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 0.05g |
$1224.0 | 2023-05-02 | ||
| Enamine | EN300-677900-0.1g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 0.1g |
$1283.0 | 2023-05-02 | ||
| Enamine | EN300-677900-0.25g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 0.25g |
$1341.0 | 2023-05-02 | ||
| Enamine | EN300-677900-0.5g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 0.5g |
$1399.0 | 2023-05-02 | ||
| Enamine | EN300-677900-1.0g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 1g |
$1458.0 | 2023-05-02 | ||
| Enamine | EN300-677900-2.5g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 2.5g |
$2856.0 | 2023-05-02 | ||
| Enamine | EN300-677900-5.0g |
3-(3-bromo-2,2-dimethylpropyl)oxolane |
1934570-63-4 | 5g |
$4226.0 | 2023-05-02 |
3-(3-Bromo-2,2-dimethylpropyl)oxolane Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
Additional information on 3-(3-Bromo-2,2-dimethylpropyl)oxolane
Research Briefing on 3-(3-Bromo-2,2-dimethylpropyl)oxolane (CAS: 1934570-63-4) in Chemical Biology and Pharmaceutical Applications
The compound 3-(3-Bromo-2,2-dimethylpropyl)oxolane (CAS: 1934570-63-4) has recently emerged as a molecule of significant interest in chemical biology and pharmaceutical research due to its unique structural features and potential therapeutic applications. This research briefing synthesizes the latest findings regarding this compound, focusing on its synthetic pathways, biological activities, and potential as a building block for drug development.
Recent studies have demonstrated that 1934570-63-4 serves as a versatile intermediate in the synthesis of complex bioactive molecules. Its bromine-substituted dimethylpropyl group attached to an oxolane (tetrahydrofuran) ring provides multiple sites for chemical modification, making it particularly valuable for structure-activity relationship (SAR) studies. A 2023 publication in the Journal of Medicinal Chemistry highlighted its use in developing novel kinase inhibitors, where the compound's rigid oxolane ring contributed to improved binding affinity and selectivity.
In pharmacological investigations, 3-(3-Bromo-2,2-dimethylpropyl)oxolane has shown promising activity against several disease targets. Research published in Bioorganic & Medicinal Chemistry Letters (2024) reported its incorporation into proteolysis targeting chimera (PROTAC) molecules, where it facilitated the degradation of oncogenic proteins. The compound's lipophilic nature and appropriate molecular weight (MW: 221.13 g/mol) make it particularly suitable for optimizing drug-like properties in lead optimization phases.
The synthetic accessibility of 1934570-63-4 has been another focus of recent research. A 2024 study in Organic Process Research & Development detailed an improved synthetic route with 78% overall yield and excellent purity (>99%), addressing previous challenges in large-scale production. This advancement is particularly significant for pharmaceutical applications where consistent quality and scalability are crucial.
From a safety perspective, preliminary toxicological studies indicate that 3-(3-Bromo-2,2-dimethylpropyl)oxolane exhibits favorable ADME (absorption, distribution, metabolism, and excretion) profiles in animal models. However, researchers caution that the bromine substituent may require careful consideration in final drug candidates due to potential metabolic liabilities. Current investigations are exploring deuterated analogs to potentially improve metabolic stability while retaining the compound's beneficial properties.
Looking forward, the unique structural features of 1934570-63-4 continue to inspire novel applications in drug discovery. Several pharmaceutical companies have included derivatives of this compound in their pipelines, particularly for oncology and inflammatory diseases. The compound's versatility as both a synthetic intermediate and a potential pharmacophore ensures its ongoing relevance in chemical biology and medicinal chemistry research.
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