Cas no 1048647-68-2 (3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester)
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester Chemical and Physical Properties
Names and Identifiers
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- N-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- 3-(N-Benzylaminocarbonyl)phenylboronic acid, pinacol ester
- 3-(BENZYLAMINOCARBONYL)BENZENEBORONIC ACID PINACOL ESTER
- A-9204
- AMTB049
- N-benzyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide
- 3-(N-Benzylaminocarbonyl)phenylboronic acid,pinacol
- 3-(BENZYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER
- [3-(Benzylamino-1-carbonyl)phenyl]boronic acid pinacol ester
- N-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- 3-(N-Benzylaminocarbonyl)phenylboronic acid pinacol ester
- N-benzyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- CS-0175476
- J-001276
- AKOS016004592
- 1048647-68-2
- MFCD09266183
- SB83555
- DTXSID90674678
- AS-2291
- YRB64768
- 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester
-
- MDL: MFCD09266183
- Inchi: 1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)17-12-8-11-16(13-17)18(23)22-14-15-9-6-5-7-10-15/h5-13H,14H2,1-4H3,(H,22,23)
- InChI Key: FIKRNCQRGXLNPR-UHFFFAOYSA-N
- SMILES: O1B(C2C=CC=C(C(NCC3C=CC=CC=3)=O)C=2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 337.18500
- Monoisotopic Mass: 337.1849238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 458
- 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: 47.6
Experimental Properties
- Density: 1.11±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 155-158°C
- PSA: 47.56000
- LogP: 3.30670
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Storage Condition:Store at room temperature
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019140269-10g |
N-Benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
1048647-68-2 | 95% | 10g |
$400.00 | 2023-09-04 | |
| TRC | B233818-100mg |
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1048647-68-2 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B233818-250mg |
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1048647-68-2 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B233818-500mg |
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1048647-68-2 | 500mg |
$ 110.00 | 2023-04-18 | ||
| TRC | B233818-1g |
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1048647-68-2 | 1g |
$ 120.00 | 2022-06-07 | ||
| AK Scientific | AMTB049-250mg |
[3-(Benzylamino-1-carbonyl)phenyl]boronic acid pinacol ester |
1048647-68-2 | 98% | 250mg |
$24 | 2025-02-18 | |
| AK Scientific | AMTB049-1g |
[3-(Benzylamino-1-carbonyl)phenyl]boronic acid pinacol ester |
1048647-68-2 | 98% | 1g |
$71 | 2025-02-18 | |
| AK Scientific | AMTB049-5g |
[3-(Benzylamino-1-carbonyl)phenyl]boronic acid pinacol ester |
1048647-68-2 | 98% | 5g |
$243 | 2025-02-18 | |
| abcr | AB206839-500 mg |
3-(Benzylaminocarbonyl)benzeneboronic acid pinacol ester, 95%; . |
1048647-68-2 | 95% | 500 mg |
€100.00 | 2023-07-20 | |
| abcr | AB206839-1 g |
3-(Benzylaminocarbonyl)benzeneboronic acid pinacol ester, 95%; . |
1048647-68-2 | 95% | 1 g |
€121.90 | 2023-07-20 |
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Additional information on 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester
Comprehensive Overview of 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester (CAS No. 1048647-68-2)
3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester (CAS No. 1048647-68-2) is a highly specialized boronic acid derivative that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound, characterized by its unique phenylboronic acid pinacol ester moiety and N-benzylaminocarbonyl functional group, serves as a versatile building block for Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic chemistry. Its molecular structure combines the stability of the pinacol ester with the reactivity of the boronic acid, making it an invaluable tool for researchers.
In recent years, the demand for boronic acid derivatives like 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester has surged due to their pivotal role in drug discovery and development. The compound's ability to form stable covalent bonds with diols and other nucleophiles has made it a key player in the design of protease inhibitors and enzyme-targeted therapeutics. Additionally, its applications extend to the development of fluorescent sensors and bioconjugation strategies, aligning with the growing interest in precision medicine and diagnostic tools.
One of the most frequently searched questions regarding this compound is: "What are the applications of 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester in drug discovery?" The answer lies in its role as a key intermediate for synthesizing biologically active molecules. For instance, it has been utilized in the preparation of tyrosine kinase inhibitors and anticancer agents, addressing the urgent need for novel therapies in oncology. Its compatibility with green chemistry principles, such as low toxicity and high selectivity, further enhances its appeal in sustainable pharmaceutical manufacturing.
Another trending topic in the scientific community is the use of boronic acid esters in material science. 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester has been explored for its potential in creating self-healing polymers and smart materials. These materials respond dynamically to environmental stimuli, such as pH or glucose levels, making them ideal for biomedical engineering and wearable technology. Researchers are particularly intrigued by its ability to form reversible bonds, a property that could revolutionize the design of adaptive coatings and drug delivery systems.
From an industrial perspective, the synthesis and scalability of 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester have been optimized to meet the demands of large-scale production. Advances in catalytic methodologies and flow chemistry have reduced production costs while maintaining high purity, a critical factor for regulatory compliance in the pharmaceutical sector. This aligns with the broader industry trend toward cost-effective and sustainable chemical processes, a topic frequently searched by professionals in the field.
In conclusion, 3-(N-Benzylaminocarbonyl)phenylboronic Acid Pinacol Ester (CAS No. 1048647-68-2) represents a multifaceted compound with far-reaching implications across multiple disciplines. Its unique chemical properties, coupled with its applications in drug development, material science, and industrial chemistry, underscore its importance in contemporary research. As the scientific community continues to explore its potential, this compound is poised to remain at the forefront of innovation, addressing some of the most pressing challenges in modern science and technology.
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