Cas no 877134-77-5 (4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester)
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Chemical and Physical Properties
Names and Identifiers
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- 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
- 4-Ureidobenzeneboronic acid pinacol ester
- [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- 4-(Carbamoylamino)benzene-boronic acid, pinacol ester
- 4-(Carbamoylamino)benzeneboronic acid, pinacol ester
- 4-(Ureido)phenylboronic acid, pinacol ester
- Urea,N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
- N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (ACI)
- Urea, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- (9CI)
- 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- [4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
- N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
- 4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester
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- MDL: MFCD06795683
- Inchi: 1S/C13H19BN2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)16-11(15)17/h5-8H,1-4H3,(H3,15,16,17)
- InChI Key: BVWCMMVUJQHJJE-UHFFFAOYSA-N
- SMILES: O=C(NC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1)N
Computed Properties
- Exact Mass: 262.14900
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
Experimental Properties
- Melting Point: 124-128℃
- Boiling Point: 379.7 ℃ at 760 mmHg
- PSA: 73.58000
- LogP: 2.24970
4-(Carbamoylamino)benzeneboronic 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%
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019117751-5g |
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
877134-77-5 | 98% | 5g |
$483.36 | 2023-08-31 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y02135-250mg |
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
877134-77-5 | 95% | 250mg |
¥1659.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y02135-1g |
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
877134-77-5 | 95% | 1g |
¥4209.0 | 2023-09-05 | |
| TRC | C176098-50mg |
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester |
877134-77-5 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C176098-100mg |
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester |
877134-77-5 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C176098-500mg |
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester |
877134-77-5 | 500mg |
$ 95.00 | 2022-06-06 | ||
| Matrix Scientific | 127757-1g |
4-(Carbamoylamino)benzene-boronic acid, pinacol ester, >95% |
877134-77-5 | >95% | 1g |
$361.00 | 2023-09-10 | |
| AK Scientific | AMTB1239-1g |
4-(Carbamoylamino)benzeneboronic acid pinacol ester |
877134-77-5 | 97% | 1g |
$107 | 2025-02-18 | |
| AK Scientific | AMTB1239-5g |
4-(Carbamoylamino)benzeneboronic acid pinacol ester |
877134-77-5 | 97% | 5g |
$321 | 2025-02-18 | |
| AK Scientific | AMTB1239-25g |
4-(Carbamoylamino)benzeneboronic acid pinacol ester |
877134-77-5 | 97% | 25g |
$907 | 2025-02-18 |
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Production Method
Production Method 1
Production Method 2
1.2 Reagents: Water ; 2 h, 0 °C
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Raw materials
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Preparation Products
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
Additional information on 4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester
Comprehensive Overview of 4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester (CAS No. 877134-77-5)
4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester (CAS No. 877134-77-5) is a highly specialized boronic acid derivative widely utilized in organic synthesis, pharmaceutical research, and material science. This compound belongs to the class of arylboronic esters, which are pivotal intermediates in Suzuki-Miyaura cross-coupling reactions—a cornerstone of modern drug discovery and agrochemical development. Its unique structure, featuring a carbamoylamino group and a pinacol-protected boronic ester, enhances stability and reactivity, making it indispensable for targeted molecular design.
The growing demand for 4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester is driven by its applications in precision medicine and bioconjugation. Researchers frequently search for "boronic ester solubility," "Suzuki coupling optimization," and "arylboronate stability," reflecting its relevance in high-throughput screening and catalyst-free reactions. Recent advancements in cancer therapeutics have also spotlighted this compound due to its role in synthesizing kinase inhibitors and proteolysis-targeting chimeras (PROTACs).
From a synthetic chemistry perspective, the pinacol ester moiety in CAS No. 877134-77-5 offers superior handling advantages, mitigating the hygroscopic nature of free boronic acids. This property aligns with industry trends toward air-stable reagents, a topic frequently queried in AI-driven literature searches. Additionally, its compatibility with green chemistry protocols—such as aqueous-phase reactions—addresses environmental concerns, a hotspot in sustainable pharmaceutical manufacturing.
Analytical characterization of 4-(Carbamoylamino)benzeneboronic Acid Pinacol Ester typically involves NMR spectroscopy, HPLC purity testing, and mass spectrometry. These techniques ensure compliance with Good Manufacturing Practice (GMP) standards, a critical consideration for contract research organizations (CROs). The compound’s structure-activity relationship (SAR) data is also curated in cheminformatics databases, supporting AI-assisted drug design initiatives.
In summary, CAS No. 877134-77-5 exemplifies the intersection of innovation and practical utility in organoboron chemistry. Its adaptability to automated synthesis platforms and bioorthogonal labeling techniques positions it as a key player in next-generation therapeutic development. For researchers exploring "boronic acid derivatives in drug delivery" or "pinacol ester hydrolysis kinetics," this compound offers a robust scaffold for cutting-edge applications.
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