Cas no 1164100-84-8 (2-Cyano-3-methoxyphenylboronic acid)
2-Cyano-3-methoxyphenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- (2-Cyano-3-methoxyphenyl)boronic acid
- 2-Cyano-3-Methoxyphenylboronic acid
- AKOS006305064
- CS-0135457
- Boronic acid, B-(2-cyano-3-methoxyphenyl)-
- A893572
- EN300-3228512
- (2-Cyano-3-methoxyphenyl)boronicacid
- 1164100-84-8
- AB57888
- MFCD10696671
- SCHEMBL10195767
- BS-19278
- SY268995
- DTXSID10681884
- 2-Cyano-3-methoxyphenylboronic acid, AldrichCPR
- 2-Cyano-3-methoxyphenylboronic acid
-
- MDL: MFCD10696671
- Inchi: 1S/C8H8BNO3/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-4,11-12H,1H3
- InChI Key: GRHINHWGIHWEPE-UHFFFAOYSA-N
- SMILES: O(C)C1=CC=CC(B(O)O)=C1C#N
Computed Properties
- Exact Mass: 177.06000
- Monoisotopic Mass: 177.0597233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 73.5?2
Experimental Properties
- Density: 1.26±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.78 g/l) (25 o C),
- PSA: 73.48000
- LogP: -0.75332
2-Cyano-3-methoxyphenylboronic acid Security Information
- Hazard Category Code: 22
-
Hazardous Material Identification:
2-Cyano-3-methoxyphenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 216135-250mg |
2-Cyano-3-methoxyphenyl)boronic acid |
1164100-84-8 | 95% | 250mg |
£325.00 | 2022-03-01 | |
| TRC | C982163-25mg |
2-Cyano-3-methoxyphenylboronic acid |
1164100-84-8 | 25mg |
$133.00 | 2023-05-18 | ||
| TRC | C982163-50mg |
2-Cyano-3-methoxyphenylboronic acid |
1164100-84-8 | 50mg |
$207.00 | 2023-05-18 | ||
| TRC | C982163-100mg |
2-Cyano-3-methoxyphenylboronic acid |
1164100-84-8 | 100mg |
$322.00 | 2023-05-18 | ||
| TRC | C982163-250mg |
2-Cyano-3-methoxyphenylboronic acid |
1164100-84-8 | 250mg |
$563.00 | 2023-05-18 | ||
| Chemenu | CM136393-1g |
(2-Cyano-3-methoxyphenyl)boronic acid |
1164100-84-8 | 95% | 1g |
$782 | 2023-01-12 | |
| eNovation Chemicals LLC | Y1193010-1g |
2-Cyano-3-methoxyphenylboronic Acid |
1164100-84-8 | 95% | 1g |
$1375 | 2024-07-19 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H61856-100mg |
2-Cyano-3-methoxybenzeneboronic acid, 95% |
1164100-84-8 | 95% | 100mg |
¥3603.00 | 2023-03-01 | |
| abcr | AB309869-250 mg |
2-Cyano-3-methoxyphenylboronic acid, 95%; . |
1164100-84-8 | 95% | 250mg |
€594.50 | 2023-04-26 | |
| abcr | AB309869-1 g |
2-Cyano-3-methoxyphenylboronic acid, 95%; . |
1164100-84-8 | 95% | 1g |
€1422.40 | 2023-04-26 |
2-Cyano-3-methoxyphenylboronic acid Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
Additional information on 2-Cyano-3-methoxyphenylboronic acid
Comprehensive Guide to 2-Cyano-3-methoxyphenylboronic acid (CAS No. 1164100-84-8)
2-Cyano-3-methoxyphenylboronic acid (CAS No. 1164100-84-8) is a specialized boronic acid derivative widely used in organic synthesis, pharmaceutical research, and material science. This compound features a unique combination of a cyano group and a methoxy group attached to a phenyl ring, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions. Researchers and industries value this compound for its ability to facilitate the formation of carbon-carbon bonds, a critical step in drug discovery and advanced material development.
The growing demand for 2-Cyano-3-methoxyphenylboronic acid is driven by its applications in medicinal chemistry, particularly in the synthesis of bioactive molecules. With the rise of personalized medicine and targeted drug delivery systems, this compound has gained attention for its role in creating novel therapeutics. Additionally, its use in OLED materials and organic electronics aligns with the increasing focus on sustainable and high-performance materials in the tech industry.
One of the most searched questions related to boronic acids is their stability and handling. 2-Cyano-3-methoxyphenylboronic acid is generally stable under standard conditions but should be stored in a cool, dry place to prevent degradation. Its solubility in common organic solvents like DMSO and THF makes it convenient for laboratory use. Researchers often inquire about its purity and analytical methods, with HPLC and NMR being the preferred techniques for quality control.
In the context of green chemistry, 2-Cyano-3-methoxyphenylboronic acid is notable for its role in catalytic processes that minimize waste. The Suzuki-Miyaura reaction, which employs this compound, is celebrated for its atom efficiency and mild reaction conditions. This aligns with the global push toward sustainable chemical synthesis, a hot topic in both academic and industrial circles.
The market for 2-Cyano-3-methoxyphenylboronic acid is expanding, particularly in regions with strong pharmaceutical and electronics sectors. Suppliers often highlight its high purity grades (e.g., ≥97% or ≥98%) to meet the stringent requirements of GMP-compliant production. Custom synthesis and bulk availability are also frequently discussed, as industries seek scalable solutions for their R&D and manufacturing needs.
For those exploring structure-activity relationships (SAR) in drug design, 2-Cyano-3-methoxyphenylboronic acid offers a valuable scaffold. Its electron-withdrawing cyano group and electron-donating methoxy group provide a balanced electronic profile, enabling fine-tuning of molecular properties. This has led to its incorporation in libraries for high-throughput screening and fragment-based drug discovery.
In summary, 2-Cyano-3-methoxyphenylboronic acid (CAS No. 1164100-84-8) is a multifaceted compound with significant applications in cutting-edge research and industry. Its relevance to drug development, material science, and sustainable chemistry ensures its continued importance in the scientific community. As innovation progresses, this compound is poised to play an even greater role in addressing global challenges in healthcare and technology.
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