Cas no 503621-00-9 (4-amino-2-Benzofuranmethanol)
4-amino-2-Benzofuranmethanol Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-2-Benzofuranmethanol
- 2-Benzofuranmethanol, 4-amino-
- 503621-00-9
- DA-21397
- (4-amino-1-benzofuran-2-yl)methanol
- (4-aminobenzofuran-2-yl)methanol
- SCHEMBL5364833
-
- Inchi: 1S/C9H9NO2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5,10H2
- InChI Key: BAQOEZJEEAZLGT-UHFFFAOYSA-N
- SMILES: O1C(CO)=CC2C(=CC=CC1=2)N
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 0.8
- Topological Polar Surface Area: 59.4?2
4-amino-2-Benzofuranmethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019095444-1g |
(4-Aminobenzofuran-2-yl)methanol |
503621-00-9 | 97% | 1g |
$697.68 | 2023-09-01 | |
| Chemenu | CM521213-1g |
(4-Aminobenzofuran-2-yl)methanol |
503621-00-9 | 97% | 1g |
$691 | 2024-07-16 |
4-amino-2-Benzofuranmethanol Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 4-amino-2-Benzofuranmethanol
Introduction to 4-amino-2-Benzofuranmethanol (CAS No. 503621-00-9)
4-amino-2-Benzofuranmethanol, identified by the Chemical Abstracts Service Number (CAS No.) 503621-00-9, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This heterocyclic alcohol features a benzofuran core substituted with an amino group at the 4-position and a hydroxymethyl group at the 2-position. Its unique structural framework makes it a valuable intermediate in the development of various bioactive molecules, particularly in medicinal chemistry and drug discovery programs.
The benzofuran scaffold is a privileged structure in medicinal chemistry, known for its broad biological activity and structural versatility. Compounds derived from benzofuran have been explored for their potential in treating a range of diseases, including neurological disorders, cancer, and inflammatory conditions. The presence of both amino and hydroxymethyl functional groups in 4-amino-2-Benzofuranmethanol provides multiple sites for chemical modification, enabling the synthesis of diverse derivatives with tailored pharmacological properties.
In recent years, there has been growing interest in the development of novel scaffolds for drug discovery, with 4-amino-2-Benzofuranmethanol emerging as a promising candidate. Its structural motif is reminiscent of several known bioactive compounds, suggesting potential therapeutic applications. For instance, derivatives of benzofuran have been investigated for their role in modulating enzyme activity and receptor binding. The amino group can be further functionalized into amides, sulfonamides, or other pharmacophores, while the hydroxymethyl group offers opportunities for glycosylation or other carbohydrate-based modifications.
One of the most compelling aspects of 4-amino-2-Benzofuranmethanol is its utility as a building block in the synthesis of small-molecule inhibitors. Researchers have leveraged this compound to develop molecules targeting key biological pathways involved in diseases such as cancer and neurodegeneration. The benzofuran ring itself is capable of interacting with proteins through π-stacking and hydrogen bonding interactions, making it an ideal scaffold for designing high-affinity binders.
Recent advances in computational chemistry have further enhanced the appeal of 4-amino-2-Benzofuranmethanol as a starting material. Molecular modeling studies have demonstrated that modifications at the 4- and 2-positions can significantly alter binding affinity and selectivity. This has led to the identification of novel lead compounds with improved pharmacokinetic profiles. Additionally, green chemistry principles have been applied to optimize synthetic routes, reducing waste and improving atom economy.
The pharmaceutical industry has also recognized the potential of 4-amino-2-Benzofuranmethanol in late-stage functionalization strategies. By integrating this intermediate into larger molecular frameworks, chemists can generate complex drug candidates with multiple binding sites. Such multifunctional molecules are particularly attractive for treating multifaceted diseases where targeting multiple pathways is required.
In conclusion, 4-amino-2-Benzofuranmethanol (CAS No. 503621-00-9) represents a versatile and valuable compound in modern drug discovery. Its unique structural features and functionalization potential make it an indispensable tool for medicinal chemists seeking to develop innovative therapeutics. As research continues to uncover new applications for benzofuran derivatives, compounds like 4-amino-2-Benzofuranmethanol will undoubtedly play a pivotal role in shaping the future of pharmaceutical innovation.
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