Cas no 1079402-44-0 (2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties
Names and Identifiers
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- 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 2-(2-Cyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- MB16919
- DB-098443
- 1079402-44-0
- SCHEMBL264588
- starbld0017991
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- Inchi: 1S/C15H20BFO3/c1-14(2)15(3,4)20-16(19-14)12-9-10(17)5-8-13(12)18-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3
- InChI Key: QDUDUXYJYNVHFW-UHFFFAOYSA-N
- SMILES: FC1=CC=C(C(B2OC(C)(C)C(C)(C)O2)=C1)OC1CC1
Computed Properties
- Exact Mass: 278.1489528Da
- Monoisotopic Mass: 278.1489528Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 354
- 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: 27.7?2
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B424703-10mg |
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
1079402-44-0 | 10mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B424703-50mg |
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
1079402-44-0 | 50mg |
$ 230.00 | 2022-06-07 | ||
| TRC | B424703-100mg |
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
1079402-44-0 | 100mg |
$ 340.00 | 2022-06-07 |
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
Additional information on 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Comprehensive Overview of 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1079402-44-0)
The compound 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1079402-44-0) is a highly specialized boron-containing intermediate widely utilized in pharmaceutical research and organic synthesis. Its unique structure, featuring a dioxaborolane ring and a fluorophenyl group, makes it a valuable building block for Suzuki-Miyaura cross-coupling reactions, a topic frequently searched by chemists and researchers in the field of drug discovery and material science.
Recent trends in AI-driven drug design and high-throughput screening have increased interest in boron-based compounds like 1079402-44-0. Searches for "boronic acid derivatives in medicinal chemistry" or "fluorophenyl boronates applications" highlight its relevance. This compound’s cyclopropyl ether moiety further enhances its utility in modulating bioavailability and metabolic stability, key concerns in modern pharmaceutical development.
From a synthetic perspective, 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is often employed to introduce aryl boron groups into complex molecules. Its stability under ambient conditions and compatibility with palladium catalysts align with industry demands for green chemistry and atom-efficient reactions. These attributes are frequently queried in forums discussing "sustainable synthetic methods."
Analytical characterization of this compound typically involves NMR spectroscopy (particularly 11B NMR for boron detection) and mass spectrometry. Researchers exploring "NMR analysis of boronates" or "QC protocols for boronate esters" will find this compound’s spectral data insightful. Its crystalline form and solubility profile in common organic solvents (e.g., THF, DCM) are also documented for practical applications.
In the context of personalized medicine, derivatives of 1079402-44-0 have shown promise in kinase inhibitor development, a hot topic in oncology research. The 5-fluorophenyl segment contributes to target selectivity, while the dioxaborolane group facilitates proteolysis-targeting chimera (PROTAC) design, another trending search term in bioconjugation chemistry.
Regulatory and safety data for this compound emphasize its handling under standard laboratory protocols. While not classified as hazardous, its use in GMP-compliant synthesis requires strict quality control measures—a concern reflected in searches for "boronate purity standards." Storage recommendations typically suggest inert atmosphere conditions to preserve its hydrolytic stability.
The commercial availability of 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane through specialty chemical suppliers caters to the growing demand for tailored boron reagents. Market analyses indicate rising interest in "custom boronic ester synthesis" and "scalable boronate production," positioning this CAS No. 1079402-44-0 as a strategically important material for contract research organizations (CROs).
Emerging applications in PET radiopharmaceuticals (where the fluorine-18 isotope could replace the stable fluorine atom) and bioorthogonal chemistry further expand its potential. These cutting-edge uses correlate with search queries about "boron in imaging agents" and "click chemistry compatible boronates," demonstrating the compound’s interdisciplinary significance.
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