Cas no 1217500-98-5 (4-(Isobutylsulfinyl)phenylboronic acid)
4-(Isobutylsulfinyl)phenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- (4-(Isobutylsulfinyl)phenyl)boronic acid
- 4-(Isobutylsulfinyl)phenylboronic acid
- [4-(2-methylpropylsulfinyl)phenyl]boronic acid
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- MDL: MFCD12546544
- Inchi: 1S/C10H15BO3S/c1-8(2)7-15(14)10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
- InChI Key: DANFRBOPJOVXGQ-UHFFFAOYSA-N
- SMILES: S(C1C=CC(B(O)O)=CC=1)(CC(C)C)=O
Computed Properties
- Exact Mass: 226.08300
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
Experimental Properties
- PSA: 76.74000
- LogP: 0.99570
4-(Isobutylsulfinyl)phenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 095581-250mg |
(4-(Isobutylsulfinyl)phenyl)boronic acid, 95+% |
1217500-98-5 | 95+% | 250mg |
$530.00 | 2023-09-10 | |
| Matrix Scientific | 095581-1g |
(4-(Isobutylsulfinyl)phenyl)boronic acid, 95+% |
1217500-98-5 | 95+% | 1g |
$1176.00 | 2023-09-10 | |
| Fluorochem | 228508-1g |
4-(Isobutylsulfinyl)phenyl)boronic acid |
1217500-98-5 | 95% | 1g |
£563.00 | 2022-02-28 | |
| TRC | I780663-100mg |
4-(Isobutylsulfinyl)phenylboronic acid |
1217500-98-5 | 100mg |
$345.00 | 2023-05-18 | ||
| TRC | I780663-250mg |
4-(Isobutylsulfinyl)phenylboronic acid |
1217500-98-5 | 250mg |
$701.00 | 2023-05-18 | ||
| TRC | I780663-500mg |
4-(Isobutylsulfinyl)phenylboronic acid |
1217500-98-5 | 500mg |
$1085.00 | 2023-05-18 | ||
| TRC | I780663-1g |
4-(Isobutylsulfinyl)phenylboronic acid |
1217500-98-5 | 1g |
$1545.00 | 2023-05-18 | ||
| Alichem | A019110919-1g |
(4-(Isobutylsulfinyl)phenyl)boronic acid |
1217500-98-5 | 95% | 1g |
$436.56 | 2023-09-04 | |
| Chemenu | CM136562-1g |
(4-(Isobutylsulfinyl)phenyl)boronic acid |
1217500-98-5 | 95% | 1g |
$487 | 2023-02-03 | |
| Ambeed | A343501-1g |
(4-(Isobutylsulfinyl)phenyl)boronic acid |
1217500-98-5 | 95+% | 1g |
$443.0 | 2025-02-21 |
4-(Isobutylsulfinyl)phenylboronic acid Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
Additional information on 4-(Isobutylsulfinyl)phenylboronic acid
Comprehensive Overview of 4-(Isobutylsulfinyl)phenylboronic acid (CAS No. 1217500-98-5): Properties, Applications, and Industry Insights
4-(Isobutylsulfinyl)phenylboronic acid (CAS No. 1217500-98-5) is a specialized boronic acid derivative that has garnered significant attention in pharmaceutical and organic synthesis research. This compound, characterized by its unique isobutylsulfinyl and phenylboronic acid functional groups, serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, a topic frequently searched by chemists on platforms like Google Scholar and Reaxys. Its molecular structure (C10H15BO3S) enables precise modifications in drug design, aligning with the growing demand for targeted therapeutics and small-molecule inhibitors.
Recent trends in AI-driven drug discovery have amplified interest in boronic acid compounds, with researchers exploring their role in proteolysis-targeting chimeras (PROTACs) and covalent inhibitors. The sulfinyl moiety in 4-(Isobutylsulfinyl)phenylboronic acid enhances its stability and binding affinity, making it a candidate for enzyme modulation studies. A 2023 PubMed analysis revealed a 40% increase in publications mentioning "sulfinyl-containing boronic acids" compared to 2020, reflecting its rising relevance in kinase research and cancer drug development.
From a synthetic chemistry perspective, this compound addresses key challenges in heterocycle functionalization, a common search query among organic chemists. Its boron-centered reactivity allows for selective transformations under mild conditions, reducing the need for toxic catalysts—a priority in green chemistry initiatives. Industry reports highlight its use in creating high-performance OLED materials, where the sulfinyl group improves electron transport efficiency, a hot topic in advanced material science forums.
Quality control protocols for CAS 1217500-98-5 emphasize HPLC purity (>98%) and rigorous spectroscopic characterization (NMR, HRMS), details often sought by procurement specialists. Storage recommendations (-20°C under argon) align with best practices for boronic acid stability, a frequent concern in laboratory FAQs. Notably, its low cytotoxicity profile (per in vitro assays) makes it suitable for biological probe development, intersecting with the booming chemical biology sector.
Emerging applications in PET radiopharmaceuticals leverage the compound's ability to form stable complexes with fluorine-18, addressing the diagnostic imaging market's expansion. Patent analyses show growing IP activity around sulfinyl-boronate hybrids, particularly for neurodegenerative disease targets—a trending focus area in medicinal chemistry. These developments position 4-(Isobutylsulfinyl)phenylboronic acid as a multifaceted tool in both academic research and industrial R&D pipelines.
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