Cas no 1197171-76-8 (N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide)
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Chemical and Physical Properties
Names and Identifiers
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- N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- 3-(N-Methylaminocarbonyl)phenylboronic acid,pinacol ester
- N-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- A-5349
- X1655
-
- MDL: MFCD17015821
- Inchi: 1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-7-10(9-11)12(17)16-5/h6-9H,1-5H3,(H,16,17)
- InChI Key: YKVCWFPOJAXHGE-UHFFFAOYSA-N
- SMILES: O1B(C2C=CC=C(C(NC)=O)C=2)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 261.15400
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
Experimental Properties
- Melting Point: 172-174°C
- PSA: 51.05000
- LogP: 1.92020
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 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
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 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%
N-Methyl-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 |
|---|---|---|---|---|---|---|---|---|
| TRC | M219525-10mg |
3-(N-Methylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1197171-76-8 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M219525-50mg |
3-(N-Methylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1197171-76-8 | 50mg |
$ 65.00 | 2022-06-04 | ||
| TRC | M219525-100mg |
3-(N-Methylaminocarbonyl)phenylboronic Acid Pinacol Ester |
1197171-76-8 | 100mg |
$ 80.00 | 2022-06-04 | ||
| Apollo Scientific | OR310476-1g |
N-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
1197171-76-8 | 1g |
£64.00 | 2025-02-19 | ||
| Apollo Scientific | OR310476-5g |
N-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
1197171-76-8 | 5g |
£308.00 | 2023-08-31 | ||
| AK Scientific | AMTB795-250mg |
3-(N-Methylaminocarbonyl) phenylboronic acid pinacol ester |
1197171-76-8 | 95% | 250mg |
$21 | 2025-02-18 | |
| AK Scientific | AMTB795-1g |
3-(N-Methylaminocarbonyl) phenylboronic acid pinacol ester |
1197171-76-8 | 95% | 1g |
$56 | 2025-02-18 | |
| AK Scientific | AMTB795-5g |
3-(N-Methylaminocarbonyl) phenylboronic acid pinacol ester |
1197171-76-8 | 95% | 5g |
$193 | 2025-02-18 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N855038-1g |
N-Methyl-3-(tetramethyl-1,3,2- dioxaborolan-2-yl)benzamide |
1197171-76-8 | 96% | 1g |
¥754.00 | 2022-09-01 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N64570-1g |
N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
1197171-76-8 | 97% | 1g |
¥1080.0 | 2024-07-19 |
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
Additional information on N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Comprehensive Overview of N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS No. 1197171-76-8)
N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, with the CAS number 1197171-76-8, is a highly specialized boronic acid derivative widely recognized for its applications in organic synthesis and pharmaceutical research. This compound belongs to the class of arylboronates, which are pivotal in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern drug discovery and material science. Its unique dioxaborolane structure enhances stability and reactivity, making it a valuable intermediate for constructing complex molecular architectures.
The growing interest in N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is driven by its versatility in medicinal chemistry, particularly in the development of targeted therapies and bioconjugates. Researchers frequently search for "boronic acid derivatives in drug design" or "applications of Suzuki coupling reagents," reflecting its relevance in cutting-edge science. The compound's methyl-substituted benzamide moiety further expands its utility in modulating bioavailability and binding affinity, aligning with trends in personalized medicine.
From a synthetic perspective, CAS 1197171-76-8 is prized for its air- and moisture-stable properties, addressing common challenges in handling boron-containing compounds. This stability is critical for high-throughput screening (HTS) and combinatorial chemistry, where reproducibility is paramount. Industry professionals often inquire about "stable boronate esters" or "scalable boron reagents," underscoring its industrial significance. Additionally, its compatibility with green chemistry protocols resonates with the push for sustainable synthesis methods.
The compound's role extends to agrochemical research, where boron-based intermediates are leveraged to develop novel crop protection agents. This aligns with global demands for eco-friendly pesticides and precision agriculture solutions. Searches like "boron in agrochemicals" or "benzamide derivatives in agriculture" highlight this niche application. Furthermore, its potential in proteolysis-targeting chimeras (PROTACs)—a hot topic in degradation therapeutics—has sparked academic and commercial interest.
Quality control of N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is rigorously monitored via HPLC, NMR, and mass spectrometry, ensuring compliance with Good Manufacturing Practices (GMP). Suppliers emphasize "high-purity boron reagents" and "CAS 1197171-76-8 specifications" to meet researcher needs. The compound's crystalline form and solubility profiles are also documented to facilitate experimental design, catering to queries such as "boronate solubility in DMSO."
In summary, N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (1197171-76-8) exemplifies the intersection of innovation and practical utility in chemical research. Its multifaceted applications—from pharmaceuticals to agrochemicals—coupled with its synthetic advantages, position it as a critical tool for scientists tackling 21st-century challenges.
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