Cas no 131719-55-6 (Diethyl 4-(benzyloxy)benzylphosphonate)
Diethyl 4-(benzyloxy)benzylphosphonate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 4-(benzyloxy)benzylphosphonate
- 1-(diethoxyphosphorylmethyl)-4-phenylmethoxybenzene
- (4-benzyloxybenzyl)-phosphonic acid diethyl ester
- 4-(benzyloxy)-1-(diethylphosphonomethyl)benzene
- 4-Benzyloxy-benzyldiaethylphosphonat
- AK133286
- diethyl < 4-(benzyloxy)benzyl> phosphonate
- KB-251495
- SCHEMBL8011004
- DTXSID20435476
- Diethyl4-(benzyloxy)benzylphosphonate
- 131719-55-6
- F80745
-
- Inchi: 1S/C18H23O4P/c1-3-21-23(19,22-4-2)15-17-10-12-18(13-11-17)20-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
- InChI Key: LOPTXROLMDAJBT-UHFFFAOYSA-N
- SMILES: P(CC1C=CC(=CC=1)OCC1C=CC=CC=1)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 334.13349
- Monoisotopic Mass: 334.13339621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 350
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Diethyl 4-(benzyloxy)benzylphosphonate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019140929-1g |
Diethyl 4-(benzyloxy)benzylphosphonate |
131719-55-6 | 95% | 1g |
431.64 USD | 2021-06-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770497-100mg |
Diethyl 4-(benzyloxy)benzylphosphonate |
131719-55-6 | 98% | 100mg |
¥891.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770497-250mg |
Diethyl 4-(benzyloxy)benzylphosphonate |
131719-55-6 | 98% | 250mg |
¥1775.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770497-1g |
Diethyl 4-(benzyloxy)benzylphosphonate |
131719-55-6 | 98% | 1g |
¥6228.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770497-5g |
Diethyl 4-(benzyloxy)benzylphosphonate |
131719-55-6 | 98% | 5g |
¥29893.00 | 2024-08-09 |
Diethyl 4-(benzyloxy)benzylphosphonate Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
Additional information on Diethyl 4-(benzyloxy)benzylphosphonate
Introduction to Diethyl 4-(benzyloxy)benzylphosphonate (CAS No. 131719-55-6)
Diethyl 4-(benzyloxy)benzylphosphonate is a specialized organic compound characterized by its unique structural and chemical properties. This compound, identified by the CAS number 131719-55-6, has garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications. The presence of both phosphonate and benzyloxy functional groups makes it a promising candidate for various synthetic and biological studies.
The molecular structure of Diethyl 4-(benzyloxy)benzylphosphonate consists of a benzylphosphonate moiety linked to an ethyl group and a benzyloxy substituent. This configuration imparts distinct reactivity and stability, making it suitable for use in the synthesis of complex molecules. The benzyloxy group, in particular, is known for its ability to enhance solubility and stability in organic solvents, which is crucial for pharmaceutical applications.
In recent years, there has been a growing interest in phosphonate derivatives due to their potential biological activities. Phosphonates are known to exhibit inhibitory effects on various enzymes and have been explored as intermediates in the development of drugs targeting metabolic pathways. The compound Diethyl 4-(benzyloxy)benzylphosphonate has shown promise in preliminary studies as a precursor for more complex pharmacophores.
One of the most compelling aspects of Diethyl 4-(benzyloxy)benzylphosphonate is its role in the synthesis of chiral compounds. The benzylphosphonate group can be selectively modified to introduce chirality, which is essential for developing enantiomerically pure drugs. This property has made it a valuable tool in the hands of medicinal chemists working on the development of novel therapeutics.
The benzyloxy group also plays a critical role in modulating the pharmacokinetic properties of drug candidates. By enhancing lipophilicity and solubility, this group can improve the bioavailability of active pharmaceutical ingredients (APIs). This is particularly important in the design of oral medications where poor solubility can significantly hinder therapeutic efficacy.
Recent advancements in computational chemistry have further highlighted the potential of Diethyl 4-(benzyloxy)benzylphosphonate. Molecular modeling studies have demonstrated that this compound can serve as a scaffold for designing molecules with specific binding affinities to target proteins. These studies have implications for drug discovery efforts aimed at developing treatments for diseases such as cancer, inflammation, and neurodegenerative disorders.
The compound's stability under various conditions has also been a subject of interest. Research has shown that Diethyl 4-(benzyloxy)benzylphosphonate remains stable under both acidic and basic conditions, which broadens its applicability in synthetic chemistry. This stability is crucial for ensuring that intermediates do not degrade during multi-step synthetic processes, thereby improving overall yields.
In addition to its synthetic utility, Diethyl 4-(benzyloxy)benzylphosphonate has been explored for its potential biological activities. Preliminary studies have suggested that derivatives of this compound may exhibit inhibitory effects on enzymes involved in bacterial growth and metabolism. These findings open up new avenues for developing antimicrobial agents with novel mechanisms of action.
The pharmaceutical industry has taken notice of these promising properties, leading to increased investment in research involving phosphonate derivatives. Companies are actively seeking to develop new drugs based on these compounds, recognizing their potential to address unmet medical needs. The versatility of Diethyl 4-(benzyloxy)benzylphosphonate makes it an attractive candidate for further development into clinical candidates.
The synthesis of Diethyl 4-(benzyloxy)benzylphosphonate itself is a testament to the advancements in organic chemistry methodologies. Modern synthetic techniques have enabled the efficient preparation of this compound with high purity, making it readily available for research purposes. This accessibility has facilitated numerous studies exploring its applications in both academic and industrial settings.
The future prospects for Diethyl 4-(benzyloxy)benzylphosphonate are bright, with ongoing research aiming to uncover new applications and optimize its use in drug development. As our understanding of molecular interactions continues to grow, compounds like this will play an increasingly important role in the discovery and development of novel therapeutics.
131719-55-6 (Diethyl 4-(benzyloxy)benzylphosphonate) Related Products
- 1145-93-3(Diethyl 4-methoxybenzylphosphonate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)