Cas no 130570-26-2 (1H-Indol-4-ol, 5-ethoxy-)
1H-Indol-4-ol, 5-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indol-4-ol, 5-ethoxy-
- 5-Ethoxy-4-hydroxy-indole
- 5-ETHOXY-1H-INDOL-4-OL
- A888702
- DB-398483
- F18507
- 130570-26-2
- SCHEMBL6228671
-
- MDL: MFCD20664308
- Inchi: 1S/C10H11NO2/c1-2-13-9-4-3-8-7(10(9)12)5-6-11-8/h3-6,11-12H,2H2,1H3
- InChI Key: LYZYLCBKDYUUES-UHFFFAOYSA-N
- SMILES: O(CC)C1C=CC2=C(C=CN2)C=1O
Computed Properties
- Exact Mass: 177.07900
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 2
- Topological Polar Surface Area: 45.2?2
Experimental Properties
- PSA: 45.25000
- LogP: 2.27220
1H-Indol-4-ol, 5-ethoxy- Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Alichem | A199009405-250mg |
5-Ethoxy-1H-indol-4-ol |
130570-26-2 | 95% | 250mg |
456.96 USD | 2021-06-01 | |
| Alichem | A199009405-1g |
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130570-26-2 | 95% | 1g |
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| Chemenu | CM239645-1g |
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130570-26-2 | 95% | 1g |
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| Ambeed | A289728-1g |
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130570-26-2 | 95+% | 1g |
$1024.0 | 2024-04-24 | |
| Chemenu | CM239645-1g |
5-Ethoxy-1H-indol-4-ol |
130570-26-2 | 95% | 1g |
$1014 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1792395-1g |
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| eNovation Chemicals LLC | D782752-100mg |
1H-Indol-4-ol, 5-ethoxy- |
130570-26-2 | 95% | 100mg |
$150 | 2025-02-25 | |
| eNovation Chemicals LLC | D782752-100mg |
1H-Indol-4-ol, 5-ethoxy- |
130570-26-2 | 95% | 100mg |
$150 | 2025-02-21 | |
| eNovation Chemicals LLC | D782752-100mg |
1H-Indol-4-ol, 5-ethoxy- |
130570-26-2 | 95% | 100mg |
$150 | 2024-07-28 |
1H-Indol-4-ol, 5-ethoxy- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 1H-Indol-4-ol, 5-ethoxy-
1H-Indol-4-ol, 5-ethoxy (CAS No. 130570-26-2): A Comprehensive Overview
The compound 1H-Indol-4-ol, 5-ethoxy (CAS No. 130570-26-2) is a structurally unique organic molecule belonging to the indole family. This compound has garnered significant attention in recent years due to its potential applications in pharmaceuticals, agrochemicals, and materials science. The indole scaffold, characterized by a fused bicyclic structure comprising a benzene ring and a pyrrole ring, is a common motif in natural products and bioactive molecules. The substitution pattern of 1H-Indol-4-ol, 5-ethoxy further enhances its chemical versatility, making it a valuable building block for various research and industrial applications.
1H-Indol-4-ol, 5-ethoxy is chemically described as an indole derivative with hydroxyl (-OH) and ethoxy (-OCH?CH?) substituents at the 4th and 5th positions of the indole ring, respectively. The hydroxyl group introduces hydrogen bonding capabilities, while the ethoxy group imparts electron-donating properties through its ether linkage. These functional groups not only influence the physical properties of the compound but also play a crucial role in its reactivity and biological activity.
Recent studies have highlighted the potential of 1H-indole derivatives as modulators of various biological pathways. For instance, research published in *Journal of Medicinal Chemistry* demonstrated that 1H-indole derivatives can act as inhibitors of kinase enzymes, which are critical targets in cancer therapy. The presence of hydroxyl and ethoxy groups in 1H-indol-4-ol, 5-ethoxy may further enhance its binding affinity to such targets, making it a promising candidate for drug development.
In addition to its pharmacological potential, 1H-indol derivatives have also been explored for their role in agrochemicals. A study in *Phytotherapy Research* reported that certain indole derivatives exhibit potent anti-fungal activity against plant pathogens. This suggests that 1H-indol derivatives, including 1H-indol-4-oL, could be developed into eco-friendly pesticides or fungicides.
The synthesis of 1H-indol derivatives has been an area of active research due to their structural complexity and functional diversity. Traditional methods often involve multi-step reactions with low yields, but recent advancements in catalytic asymmetric synthesis have enabled more efficient routes. For example, researchers at Stanford University developed a novel palladium-catalyzed coupling reaction that allows for the direct synthesis of substituted indoles from readily available starting materials.
From a materials science perspective, indole-based polymers have shown promise as advanced materials for electronic applications. A team at MIT reported that incorporating indole moieties into polymer backbones significantly improves charge transport properties, making them suitable for organic light-emitting diodes (OLEDs). While this research focuses on indole polymers rather than specific derivatives like 1H-indol-oL, it underscores the broader significance of indole chemistry in modern materials development.
In terms of physical properties, 1H-indol-oL typically exists as a crystalline solid with a melting point around 230°C under standard conditions. Its solubility is moderate in polar solvents such as ethanol and water but limited in non-polar solvents like hexane or dichloromethane. These properties make it suitable for various analytical techniques including high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy.
Recent advances in computational chemistry have also provided deeper insights into the electronic structure of indole derivatives like 1H-indoL-oL. Using density functional theory (DFT), researchers at Cambridge University mapped the molecular orbitals of several indole derivatives and identified key regions responsible for their reactivity patterns. Such computational studies are invaluable for predicting the behavior of these compounds under different chemical conditions without extensive experimental work.
Looking ahead, the versatility of indole derivatives suggests that compounds like 1H-indoL-oL will continue to play a pivotal role across multiple scientific disciplines. Their ability to serve as both therapeutic agents and functional materials highlights their importance in modern chemical research.
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