Cas no 1010836-19-7 (2-Carboxythiophene-4-boronic Acid Pinacol Ester)
2-Carboxythiophene-4-boronic Acid Pinacol Ester Chemical and Physical Properties
Names and Identifiers
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- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
- (2-Carboxythien-4-yl)boronic acid pinacol ester
- 2-CARBOXYTHIOPHENE-4-BORONIC ACID, PINACOL ESTER
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylic acid
- SCHEMBL1130443
- 2-Carboxythien-4-yl)boronic Acid Pinacol Ester; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylic Acid;
- 1010836-19-7
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylicacid
- DTXSID60585984
- AKOS015950007
- PS-13016
- J-000320
- AB43519
- 2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- MFCD08064045
- CS-0168553
- AT16138
- 5-Carboxythiophene-3-boronic acid pinacol ester
- 2-CARBOXYTHIOPHENE-4-BORONIC ACID PINACOL ESTER
- 2-Carboxythiophene-4-boronic Acid Pinacol Ester
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- MDL： MFCD08064045
- Inchi： 1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)7-5-8(9(13)14)17-6-7/h5-6H,1-4H3,(H,13,14)
- InChI Key： ZDNZEHFXGXIPLX-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC(B2OC(C)(C)C(C)(C)O2)=C1
Computed Properties
- Exact Mass: 254.07800
- Monoisotopic Mass: 254.0784103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 315
- 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: 84?2
Experimental Properties
- Density: 1.23±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 403.4±30.0 °C at 760 mmHg
- Flash Point: 197.8±24.6 °C
- PSA: 84.00000
- LogP: 1.74550
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
2-Carboxythiophene-4-boronic Acid Pinacol Ester Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Carboxythiophene-4-boronic 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%
2-Carboxythiophene-4-boronic Acid Pinacol Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 092144-1g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid, 95+% |
1010836-19-7 | 95+% | 1g |
$341.00 | 2023-09-05 | |
| Fluorochem | 215804-1g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid |
1010836-19-7 | 95% | 1g |
￡188.00 | 2022-03-01 | |
| Fluorochem | 215804-5g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid |
1010836-19-7 | 95% | 5g |
￡750.00 | 2022-03-01 | |
| TRC | C183250-100mg |
2-Carboxythiophene-4-boronic Acid Pinacol Ester |
1010836-19-7 | 100mg |
$ 115.00 | 2023-04-18 | ||
| TRC | C183250-250mg |
2-Carboxythiophene-4-boronic Acid Pinacol Ester |
1010836-19-7 | 250mg |
$ 236.00 | 2023-04-18 | ||
| TRC | C183250-500mg |
2-Carboxythiophene-4-boronic Acid Pinacol Ester |
1010836-19-7 | 500mg |
$ 391.00 | 2023-04-18 | ||
| TRC | C183250-1g |
2-Carboxythiophene-4-boronic Acid Pinacol Ester |
1010836-19-7 | 1g |
$ 570.00 | 2022-06-06 | ||
| Alichem | A169003810-5g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid |
1010836-19-7 | 95% | 5g |
$1055.25 | 2023-09-04 | |
| Alichem | A169003810-10g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid |
1010836-19-7 | 95% | 10g |
$1562.44 | 2023-09-04 | |
| Alichem | A169003810-25g |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid |
1010836-19-7 | 95% | 25g |
$2508.48 | 2023-09-04 |
2-Carboxythiophene-4-boronic Acid Pinacol Ester 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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
Additional information on 2-Carboxythiophene-4-boronic Acid Pinacol Ester
Introduction to 2-Carboxythiophene-4-boronic Acid Pinacol Ester (CAS No. 1010836-19-7) and Its Applications in Modern Chemical Biology
2-Carboxythiophene-4-boronic Acid Pinacol Ester, identified by the Chemical Abstracts Service Number (CAS No.) 1010836-19-7, is a specialized organoboron compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound belongs to the class of boronic acid esters, which are widely recognized for their utility in Suzuki-Miyaura cross-coupling reactions—a cornerstone of modern synthetic organic chemistry. The unique structural features of this molecule, combining a thiophene ring with both a carboxylic acid and a boronic acid pinacol ester functionality, make it a versatile building block for the synthesis of complex organic molecules.
The thiophene core of 2-Carboxythiophene-4-boronic Acid Pinacol Ester is an aromatic heterocycle that has been extensively studied for its role in medicinal chemistry and materials science. Thiophene derivatives are known for their broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. The presence of both a carboxylic acid and a boronic acid pinacol ester side chains enhances the reactivity and functionality of this compound, making it particularly useful in the construction of biologically active molecules.
In recent years, there has been a surge in research focused on the development of novel boronic acid derivatives for therapeutic applications. The boronic acid pinacol ester moiety, in particular, has been highlighted for its stability under various reaction conditions and its ability to participate in high-yielding cross-coupling reactions. These reactions are fundamental to the synthesis of complex pharmaceuticals, including targeted therapeutics and biologics. The Suzuki-Miyaura cross-coupling reaction, which involves the palladium-catalyzed coupling of boronic acids with aryl or vinyl halides, has become indispensable in drug discovery pipelines due to its broad substrate scope and mild reaction conditions.
The carboxylic acid group in 2-Carboxythiophene-4-boronic Acid Pinacol Ester provides an additional handle for further functionalization, enabling the synthesis of more intricate molecular architectures. This functionality can be utilized to form amide or ester linkages, which are common motifs in peptide mimetics and drug molecules. Moreover, the carboxylic acid group can participate in hydrogen bonding interactions, making it valuable for designing molecules with specific binding properties.
One of the most compelling aspects of 2-Carboxythiophene-4-boronic Acid Pinacol Ester is its potential application in the development of next-generation therapeutics. Recent studies have demonstrated its utility in the synthesis of small-molecule inhibitors targeting various biological pathways. For instance, thiophene-based compounds have shown promise as kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The boronic acid moiety further enhances the drug-like properties of these molecules by improving their solubility and bioavailability.
Advances in computational chemistry and machine learning have also facilitated the design of novel derivatives of 2-Carboxythiophene-4-boronic Acid Pinacol Ester with enhanced biological activity. These computational tools allow researchers to predict the binding affinity and pharmacokinetic properties of candidate compounds before conducting expensive wet-lab experiments. This approach has significantly accelerated the drug discovery process and has led to the identification of several lead compounds that are now being evaluated in preclinical studies.
The versatility of 2-Carboxythiophene-4-boronic Acid Pinacol Ester extends beyond pharmaceutical applications. In materials science, thiophene derivatives are widely used in the fabrication of organic semiconductors and conductive polymers. The boronic acid pinacol ester functionality can be incorporated into these materials to improve their processing characteristics and electronic properties. Such materials find applications in flexible electronics, organic light-emitting diodes (OLEDs), and solar cells.
In conclusion, 2-Carboxythiophene-4-boronic Acid Pinacol Ester (CAS No. 1010836-19-7) is a multifunctional compound with significant potential in both chemical biology and materials science. Its unique structural features make it an invaluable tool for synthetic chemists seeking to develop novel therapeutics and advanced materials. As research continues to uncover new applications for this compound, its importance is likely to grow further, solidifying its role as a key player in modern chemical innovation.
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