Cas no 56683-56-8 (4'-Methoxycarbonylbenzo-15-crown 5-Ether)
4'-Methoxycarbonylbenzo-15-crown 5-Ether Chemical and Physical Properties
Names and Identifiers
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- 4'-METHOXYCARBONYLBENZO-15-CROWN 5-ETHER (EP)
- methyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylate
- 4'-Methoxycarbonylbenzo-15-crown 5-Ether
- Methyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-carboxylate
- M1489
- T72631
- 2,3-(4-Methoxycarbonylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene
- 56683-56-8
- DTXSID10501174
- CS-0435423
- Methyl 2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylate
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- MDL: MFCD06797129
- Inchi: 1S/C16H22O7/c1-18-16(17)13-2-3-14-15(12-13)23-11-9-21-7-5-19-4-6-20-8-10-22-14/h2-3,12H,4-11H2,1H3
- InChI Key: PMGUUVHWCHSZKY-UHFFFAOYSA-N
- SMILES: O1CCOCCOCCOCCOC2C=CC(C(=O)OC)=CC1=2
Computed Properties
- Exact Mass: 326.13700
- Monoisotopic Mass: 326.13655304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 336
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 72.4?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 82 °C
- PSA: 72.45000
- LogP: 1.29420
- Solubility: Not determined
4'-Methoxycarbonylbenzo-15-crown 5-Ether Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M332365-10mg |
4'-Methoxycarbonylbenzo-15-crown 5-Ether |
56683-56-8 | 10mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M332365-50mg |
4'-Methoxycarbonylbenzo-15-crown 5-Ether |
56683-56-8 | 50mg |
$ 115.00 | 2022-06-03 | ||
| TRC | M332365-100mg |
4'-Methoxycarbonylbenzo-15-crown 5-Ether |
56683-56-8 | 100mg |
$ 185.00 | 2022-06-03 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-290605-1 g |
4'-Methoxycarbonylbenzo-15-crown 5-Ether, |
56683-56-8 | 1g |
¥6,844.00 | 2023-07-11 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1506093-250mg |
Methyl 2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylate |
56683-56-8 | 98% | 250mg |
¥1965.00 | 2024-05-08 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1506093-1g |
Methyl 2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylate |
56683-56-8 | 98% | 1g |
¥6213.00 | 2024-05-08 | |
| Cooke Chemical | LN9409657-1g |
Methyl2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylate |
56683-56-8 | 98% | 1g |
RMB 4553.60 | 2025-02-21 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-290605-1g |
4'-Methoxycarbonylbenzo-15-crown 5-Ether, |
56683-56-8 | 1g |
¥6844.00 | 2023-09-05 | ||
| A2B Chem LLC | AB59667-50mg |
4'-Methoxycarbonylbenzo-15-crown 5-ether |
56683-56-8 | 50mg |
$194.00 | 2024-04-19 | ||
| A2B Chem LLC | AB59667-100mg |
4'-Methoxycarbonylbenzo-15-crown 5-ether |
56683-56-8 | 100mg |
$244.00 | 2024-04-19 |
4'-Methoxycarbonylbenzo-15-crown 5-Ether Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
Additional information on 4'-Methoxycarbonylbenzo-15-crown 5-Ether
Introduction to 4'-Methoxycarbonylbenzo-15-crown 5-Ether (CAS No. 56683-56-8)
4'-Methoxycarbonylbenzo-15-crown 5-Ether, identified by the Chemical Abstracts Service Number (CAS No.) 56683-56-8, is a specialized organic compound that has garnered significant attention in the field of coordination chemistry and pharmaceutical research. This compound belongs to the class of crown ethers, which are macrocyclic polyethers characterized by their ability to selectively bind metal ions. The presence of a methoxycarbonyl group at the 4' position of the benzo ring and the incorporation of a 15-crown-5 moiety endows this molecule with unique structural and functional properties, making it a valuable tool in both academic studies and industrial applications.
The structure of 4'-Methoxycarbonylbenzo-15-crown 5-Ether consists of a benzoic acid derivative functionalized with a crown ether segment. The methoxycarbonyl group not only enhances the solubility of the compound in polar solvents but also provides a site for further chemical modifications, enabling its use in synthesizing more complex derivatives. The 15-crown-5 moiety, consisting of a cyclic arrangement of five oxygen atoms, is particularly effective in coordinating with alkali metals such as sodium, potassium, and lithium, which is a critical feature for its applications in catalysis and material science.
Recent research has highlighted the potential of 4'-Methoxycarbonylbenzo-15-crown 5-Ether in the development of novel pharmaceutical agents. Its ability to form stable complexes with metal ions has been explored in the context of drug delivery systems, where metal ion coordination can influence the bioavailability and efficacy of therapeutic compounds. For instance, studies have demonstrated that incorporating this crown ether into drug molecules can enhance their stability and improve their interaction with biological targets, thereby increasing their therapeutic potential.
In addition to its pharmaceutical applications, 4'-Methoxycarbonylbenzo-15-crown 5-Ether has found utility in the field of organic synthesis as a ligand in transition metal-catalyzed reactions. The crown ether segment facilitates the formation of stable metal complexes, which can act as catalysts for various organic transformations. This property has been particularly useful in cross-coupling reactions, where it aids in achieving high yields and selectivity. The methoxycarbonyl group also serves as a handle for further functionalization, allowing chemists to tailor the compound for specific synthetic needs.
One of the most intriguing aspects of 4'-Methoxycarbonylbenzo-15-crown 5-Ether is its role in supramolecular chemistry. The ability of crown ethers to form selective complexes with metal ions has enabled the design of complex molecular architectures through non-covalent interactions. This has opened up new possibilities in materials science, particularly in the development of self-assembling systems and molecular recognition devices. Researchers have leveraged this property to create novel materials with unique properties, such as sensors and molecular machines.
The latest advancements in computational chemistry have further enhanced our understanding of 4'-Methoxycarbonylbenzo-15-crown 5-Ether's behavior. Molecular modeling studies have revealed insights into its binding mechanism with metal ions, providing a basis for rational design of more effective coordination complexes. These computational approaches have also been used to predict the compound's reactivity and stability under various conditions, which is crucial for optimizing its applications.
In summary, 4'-Methoxycarbonylbenzo-15-crown 5-Ether (CAS No. 56683-56-8) is a multifaceted compound with significant potential in pharmaceuticals, catalysis, and materials science. Its unique structural features, including the methoxycarbonyl group and the 15-crown-5 moiety, make it an invaluable tool for researchers seeking to develop innovative solutions in these fields. As our understanding of its properties continues to grow, it is likely that new applications for this compound will emerge, further solidifying its importance in modern chemistry.
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