Cas no 55841-61-7 (3-Chloro-6-methoxyisoquinoline-4-carbaldehyde)
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde
- 3-chloro-6-methoxy-isoquinoline-4-carbaldehyde
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- Inchi: 1S/C11H8ClNO2/c1-15-8-3-2-7-5-13-11(12)10(6-14)9(7)4-8/h2-6H,1H3
- InChI Key: OCOLRLWLIJQFKH-UHFFFAOYSA-N
- SMILES: ClC1=C(C=O)C2C=C(C=CC=2C=N1)OC
Computed Properties
- Exact Mass: 221.0243562g/mol
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 2.5
- Topological Polar Surface Area: 39.2
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A189008957-1g |
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde |
55841-61-7 | 95% | 1g |
$2436.12 | 2023-09-01 | |
| Alichem | A189008957-5g |
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde |
55841-61-7 | 95% | 5g |
$5909.40 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1738107-1g |
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde |
55841-61-7 | 98% | 1g |
¥12642.00 | 2024-05-08 |
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Production Method
Production Method 1
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Raw materials
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Preparation Products
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
Additional information on 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde
Comprehensive Overview of 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde (CAS No. 55841-61-7)
3-Chloro-6-methoxyisoquinoline-4-carbaldehyde (CAS No. 55841-61-7) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic aldehyde, characterized by its isoquinoline backbone, is widely utilized as a key intermediate in the synthesis of bioactive molecules. Its unique structural features, including the chloro and methoxy substituents, make it a versatile building block for drug discovery and material science applications.
The growing interest in 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde aligns with the surge in demand for small-molecule therapeutics and precision agrochemicals. Researchers frequently search for "isoquinoline derivatives in drug design" or "CAS 55841-61-7 applications," reflecting its relevance in modern chemistry. Its aldehyde functional group offers reactivity for condensation reactions, enabling the creation of novel compounds targeting enzymes or receptors.
From an industrial perspective, the compound's stability under controlled conditions and compatibility with green chemistry protocols have made it a subject of optimization studies. Queries like "sustainable synthesis of 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde" highlight the intersection of efficiency and environmental consciousness in chemical manufacturing. Advanced purification techniques, such as crystallization and chromatography, ensure high purity for critical applications.
In pharmacological contexts, the isoquinoline scaffold is renowned for its presence in alkaloids with diverse biological activities. The 3-Chloro-6-methoxy substitution pattern in this compound has been explored for modulating pharmacokinetic properties, addressing frequent search terms like "improving drug bioavailability with heterocycles." Computational chemists also leverage its structure in molecular docking studies to predict interactions with biological targets.
The compound's role extends to material science, where its conjugated system contributes to optical and electronic properties. Recent publications correlate its derivatives with advancements in organic semiconductors and fluorescent probes, responding to trending searches about "functional materials from isoquinoline aldehydes." This multidisciplinary applicability underscores its importance beyond traditional chemistry domains.
Analytical characterization of CAS 55841-61-7 typically involves NMR spectroscopy, mass spectrometry, and HPLC analysis, ensuring batch-to-batch consistency. These quality control measures address industry concerns about "reproducibility in fine chemical synthesis"—a frequently searched phrase among procurement specialists. Storage recommendations emphasize protection from light and moisture to preserve the aldehyde functionality.
Emerging research directions include the compound's potential in catalysis and metal-organic frameworks (MOFs), aligning with nanotechnology trends. Its molecular geometry allows for precise spatial arrangement in supramolecular architectures, answering queries about "designing smart molecular systems." Such applications demonstrate how classical organic compounds enable cutting-edge innovations.
Regulatory compliance for 3-Chloro-6-methoxyisoquinoline-4-carbaldehyde follows standard chemical safety protocols, with detailed SDS documentation available for industrial users. The compound's handling procedures reflect best practices in modern laboratories, addressing common search concerns about "safe handling of specialty aldehydes." Proper ventilation and personal protective equipment are recommended during manipulation.
Market analyses indicate steady growth in demand for this intermediate, particularly from contract research organizations (CROs) and custom synthesis providers. The rise of "fragment-based drug discovery"—a hot topic in medicinal chemistry—has further amplified its utility as a versatile chemical building block. Suppliers often highlight its availability in various scales, from milligram to kilogram quantities.
Future prospects for 55841-61-7 include exploration in bioconjugation chemistry and prodrug development, areas receiving increased attention in pharmaceutical R&D. Its structural tunability positions it as a candidate for creating targeted drug delivery systems, responding to searches about "next-generation drug carriers." Collaborative studies between academia and industry continue to uncover novel applications.
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