Cas no 874460-01-2 (3-(Benzyl(methyl)carbamoyl)phenylboronic acid)
3-(Benzyl(methyl)carbamoyl)phenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- (3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid
- 3-[Benzyl(methyl)carbamoyl]benzeneboronic acid
- [3-[benzyl(methyl)carbamoyl]phenyl]boronic acid
- 3-(Benzyl(methyl)carbamoyl)phenylboronic acid
- Boronic acid,B-[3-[[methyl(phenylmethyl)amino]carbonyl]phenyl]-
- OR3783
- 3-(N-benzyl-N-methylcarbamoyl)phenylboronic acid
- DTXSID40657057
- MFCD09027200
- BS-24080
- 3-[N-benzyl-N-(methylaminocarbonyl)]benzeneboronic acid, AldrichCPR
- {3-[Benzyl(methyl)carbamoyl]phenyl}boronic acid
- CS-0176072
- A853735
- 874460-01-2
- AKOS015839267
- H11670
- SCHEMBL12538380
- (3-(Benzyl(methyl)carbamoyl)phenyl)boronicacid
- 3-[N-Benzyl-N-(methylaminocarbonyl)]benzeneboronic acid
- 3-[benzyl(methyl)carbamoyl]phenylboronic acid
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- MDL： MFCD09027200
- Inchi： 1S/C15H16BNO3/c1-17(11-12-6-3-2-4-7-12)15(18)13-8-5-9-14(10-13)16(19)20/h2-10,19-20H,11H2,1H3
- InChI Key： SZEATPHXIPBXGU-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(B(O)O)C=1)N(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 269.12200
- Monoisotopic Mass: 269.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 318
- 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: 60.8A^2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.2±0.1 g/cm3
- Melting Point: 127-130℃
- Boiling Point: 524.0±60.0 °C at 760 mmHg
- Flash Point: 270.7±32.9 °C
- Refractive Index: 1.607
- PSA: 60.77000
- LogP: 0.63860
- Vapor Pressure: 0.0±1.4 mmHg at 25°C
3-(Benzyl(methyl)carbamoyl)phenylboronic acid Security Information
- Signal Word：warning
- Hazard Statement： Irritant
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 22
- Safety Instruction： H303+H313+H333
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Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(Benzyl(methyl)carbamoyl)phenylboronic acid Customs Data
- HS CODE：2931900090
- Customs Data：
China Customs Code:
2931900090Overview:
2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%
Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
3-(Benzyl(methyl)carbamoyl)phenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 212496-1g |
3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 95% | 1g |
￡100.00 | 2022-03-01 | |
| Fluorochem | 212496-5g |
3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 95% | 5g |
￡300.00 | 2022-03-01 | |
| Fluorochem | 212496-10g |
3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 95% | 10g |
￡550.00 | 2022-03-01 | |
| Fluorochem | 212496-25g |
3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 95% | 25g |
￡976.00 | 2022-03-01 | |
| Alichem | A019109305-5g |
(3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 97% | 5g |
$185.40 | 2023-08-31 | |
| Alichem | A019109305-10g |
(3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 97% | 10g |
$288.40 | 2023-08-31 | |
| Chemenu | CM137263-5g |
(3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 97% | 5g |
$237 | 2021-08-05 | |
| Chemenu | CM137263-10g |
(3-(Benzyl(methyl)carbamoyl)phenyl)boronic acid |
874460-01-2 | 97% | 10g |
$434 | 2021-08-05 | |
| TRC | B288533-100mg |
3-(Benzyl(methyl)carbamoyl)phenylboronic acid |
874460-01-2 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B288533-250mg |
3-(Benzyl(methyl)carbamoyl)phenylboronic acid |
874460-01-2 | 250mg |
$ 75.00 | 2023-04-18 |
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3-(Benzyl(methyl)carbamoyl)phenylboronic acid Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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
Additional information on 3-(Benzyl(methyl)carbamoyl)phenylboronic acid
Introduction to 3-(Benzyl(methyl)carbamoyl)phenylboronic acid (CAS No. 874460-01-2) and Its Applications in Modern Chemical Biology
3-(Benzyl(methyl)carbamoyl)phenylboronic acid, identified by the CAS number 874460-01-2, is a specialized organic compound that has garnered significant attention in the field of chemical biology due to its unique structural properties and versatile applications. This compound belongs to the class of boronic acids, which are well-known for their role as key intermediates in various biochemical and pharmaceutical processes. The presence of both a benzyl and a methyl carbamoyl group in its structure imparts distinct reactivity, making it a valuable tool in synthetic chemistry and drug development.
The molecular structure of 3-(Benzyl(methyl)carbamoyl)phenylboronic acid consists of a phenyl ring substituted with a boronic acid moiety at one position, further functionalized by the benzyl(methyl)carbamoyl side chain. This configuration allows for multiple possible interactions with biological molecules, including proteins, nucleic acids, and carbohydrates. Boronic acids, in general, are recognized for their ability to form stable complexes with diols, a property that has been exploited in various diagnostic and therapeutic applications.
In recent years, the pharmaceutical industry has seen a surge in the use of boronic acid derivatives due to their potential as inhibitors of enzymes and as probes for biological pathways. The specific modification of 3-(Benzyl(methyl)carbamoyl)phenylboronic acid with both benzyl and methyl carbamoyl groups enhances its binding affinity and selectivity, making it an attractive candidate for targeted drug delivery systems. This compound has been explored in the development of novel inhibitors for enzymes involved in metabolic disorders and cancer pathways.
One of the most compelling aspects of 3-(Benzyl(methyl)carbamoyl)phenylboronic acid is its utility in the field of bioconjugation chemistry. Boronic acids can undergo reversible reactions with diols, allowing for the creation of stable but dynamic conjugates between biomolecules. This property has been leveraged in the design of protease inhibitors, which are critical in treating conditions such as cancer and inflammation. The benzyl(methyl)carbamoyl moiety further enhances the stability of these conjugates while maintaining bioactivity, making this compound particularly useful for long-term therapeutic applications.
Recent advancements in chemical biology have highlighted the importance of boronic acid derivatives in modulating protein-protein interactions. Studies have demonstrated that 3-(Benzyl(methyl)carbamoyl)phenylboronic acid can be used to develop probes that selectively target specific protein domains involved in signaling pathways. By binding to these domains, the compound can disrupt or enhance cellular processes, providing insights into disease mechanisms and potential therapeutic strategies. For instance, research has shown its efficacy in inhibiting tyrosine kinases, which are overactive in many forms of cancer.
The synthesis of 3-(Benzyl(methyl)carbamoyl)phenylboronic acid involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The introduction of the boronic acid group is typically achieved through halogenation followed by lithiation and borylation reactions. The subsequent functionalization with the benzyl(methyl)carbamoyl group is carried out under mild conditions to preserve the integrity of the boronic acid moiety. These synthetic strategies highlight the compound's complexity and the expertise required for its production.
In conclusion, 3-(Benzyl(methyl)carbamoyl)phenylboronic acid (CAS No. 874460-01-2) represents a significant advancement in chemical biology and pharmaceutical research. Its unique structural features enable it to serve as a versatile tool for drug development, bioconjugation chemistry, and protein interaction studies. As research continues to uncover new applications for this compound, its importance is likely to grow further, contributing to innovative solutions in medicine and biotechnology.
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