Cas no 325142-97-0 (N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide)
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Chemical and Physical Properties
Names and Identifiers
-
- N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- [3-(Diethylamine-1-carbonyl)phenyl]-boronic acid pinacol ester
- 3-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester
- N,N-DIETHYL-4-(-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZAMIDE
- AMTB108
- AT13107
- DTXSID50592147
- MFCD08458202
- 3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester
- SCHEMBL15550347
- AS-2342
- J-018770
- AKOS015960157
- [3-(Diethylamine-1-carbonyl)phenyl]boronic acid pinacol ester
- 3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester, 95%
- 4-(N,N-Diethylaminocarbonyl)phenylboronic acid,pinacol ester
- 325142-97-0
- CS-0130649
-
- MDL: MFCD08458202
- Inchi: 1S/C17H26BNO3/c1-7-19(8-2)15(20)13-10-9-11-14(12-13)18-21-16(3,4)17(5,6)22-18/h9-12H,7-8H2,1-6H3
- InChI Key: XCMONACECYHFCP-UHFFFAOYSA-N
- SMILES: O1B(C2C=CC=C(C(N(CC)CC)=O)C=2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 303.20100
- Monoisotopic Mass: 303.2005739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 391
- 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: 38.8?2
Experimental Properties
- Melting Point: 76-80?°C
- PSA: 38.77000
- LogP: 2.46780
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Security Information
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Symbol:
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 26
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 228692-1g |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
325142-97-0 | 95% | 1g |
£38.00 | 2022-02-28 | |
| Fluorochem | 228692-5g |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
325142-97-0 | 95% | 5g |
£128.00 | 2022-02-28 | |
| Fluorochem | 228692-25g |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
325142-97-0 | 95% | 25g |
£383.00 | 2022-02-28 | |
| Fluorochem | 228692-100g |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
325142-97-0 | 95% | 100g |
£1225.00 | 2022-02-28 | |
| TRC | D473533-100mg |
3-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester |
325142-97-0 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D473533-250mg |
3-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester |
325142-97-0 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | D473533-500mg |
3-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester |
325142-97-0 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | D473533-1g |
3-(N,N-Diethylaminocarbonyl)phenylboronic acid, pinacol ester |
325142-97-0 | 1g |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I169572-1g |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
325142-97-0 | 95% | 1g |
¥195.90 | 2023-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N938589-1g |
3-(N,N-Diethylaminocarbonyl)phenylboronic acid pinacol ester |
325142-97-0 | 95% | 1g |
¥161.10 | 2022-09-01 |
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
Additional information on N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Research Brief on N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS: 325142-97-0)
N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS: 325142-97-0) is a boronic ester derivative that has garnered significant attention in the field of chemical biology and medicinal chemistry. This compound, often utilized as a key intermediate in Suzuki-Miyaura cross-coupling reactions, plays a pivotal role in the synthesis of complex organic molecules, particularly in the development of pharmaceuticals and bioactive compounds. Recent studies have highlighted its potential in drug discovery, especially in the design of kinase inhibitors and other targeted therapies.
The compound's unique structure, featuring a boronic ester moiety, enables its application in diverse chemical transformations. Researchers have explored its utility in the synthesis of arylboronic acids, which are crucial for the development of novel therapeutic agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficacy of this compound in the synthesis of proteolysis-targeting chimeras (PROTACs), a groundbreaking approach in targeted protein degradation. The study underscored the compound's stability and reactivity, making it a valuable tool in medicinal chemistry.
In addition to its synthetic applications, N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has been investigated for its potential biological activities. Preliminary in vitro studies have shown that derivatives of this compound exhibit moderate inhibitory effects on certain kinases involved in cancer progression. However, further research is required to elucidate its mechanism of action and optimize its pharmacological properties. The compound's low toxicity profile, as reported in a 2022 Toxicology Reports article, suggests its suitability for further preclinical development.
Recent advancements in analytical techniques have also facilitated the characterization of this compound. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been employed to confirm its purity and structural integrity. These techniques are essential for ensuring the reproducibility of synthetic protocols and the reliability of biological assays. A 2023 Analytical Chemistry publication highlighted the use of these methods in quality control processes for boronic ester derivatives, including CAS: 325142-97-0.
Despite its promising applications, challenges remain in the large-scale production and commercialization of N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide. Issues such as cost-effectiveness, scalability, and environmental impact need to be addressed to facilitate its widespread adoption in the pharmaceutical industry. Collaborative efforts between academia and industry are underway to develop greener synthetic routes and improve the compound's accessibility for research and development purposes.
In conclusion, N,N-Diethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS: 325142-97-0) represents a versatile and valuable compound in chemical biology and medicinal chemistry. Its applications in drug discovery, particularly in the synthesis of kinase inhibitors and PROTACs, underscore its potential to contribute to the development of next-generation therapeutics. Ongoing research aims to further explore its biological activities and optimize its synthetic pathways, paving the way for its integration into clinical and industrial applications.
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