Cas no 120277-71-6 (4-(chloromethyl)-Isoquinoline)
4-(chloromethyl)-Isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-(chloromethyl)-Isoquinoline
- EN300-3006792
- DTXSID801308564
- 4-(chloromethyl)isoquinoline
- SCHEMBL9646280
- 120277-71-6
- Isoquinoline, 4-(chloromethyl)-
-
- Inchi: 1S/C10H8ClN/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H,5H2
- InChI Key: AJFBPEBJMMVXLM-UHFFFAOYSA-N
- SMILES: ClCC1=CN=CC2C=CC=CC=21
Computed Properties
- Exact Mass: 177.0345270g/mol
- Monoisotopic Mass: 177.0345270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 12.9?2
4-(chloromethyl)-Isoquinoline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-3006792-0.05g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 0.05g |
$1056.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-0.1g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 0.1g |
$1106.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-0.25g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 0.25g |
$1156.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-0.5g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 0.5g |
$1207.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-1.0g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 1g |
$1256.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-2.5g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 2.5g |
$2464.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-5.0g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 5g |
$3645.0 | 2023-05-30 | ||
| Enamine | EN300-3006792-10.0g |
4-(chloromethyl)isoquinoline |
120277-71-6 | 10g |
$5405.0 | 2023-05-30 |
4-(chloromethyl)-Isoquinoline Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on 4-(chloromethyl)-Isoquinoline
Comprehensive Overview of 4-(Chloromethyl)-Isoquinoline (CAS No. 120277-71-6): Properties, Applications, and Industry Insights
4-(Chloromethyl)-Isoquinoline (CAS No. 120277-71-6) is a versatile heterocyclic compound that has garnered significant attention in pharmaceutical and organic synthesis research. This chloromethyl-substituted isoquinoline derivative serves as a critical building block for the development of bioactive molecules, owing to its unique reactivity and structural features. With the increasing demand for specialty chemicals in drug discovery, compounds like 4-(Chloromethyl)-Isoquinoline are becoming indispensable tools for medicinal chemists.
The molecular structure of 4-(Chloromethyl)-Isoquinoline combines the aromatic properties of an isoquinoline core with the reactive chloromethyl functional group, making it highly valuable for nucleophilic substitution reactions. Recent studies highlight its role in synthesizing alkaloid analogs and small-molecule inhibitors, particularly in oncology and neurology research. Researchers are increasingly exploring its potential in targeted drug delivery systems, aligning with the growing trend of precision medicine.
From an industrial perspective, the synthesis and purification of CAS 120277-71-6 require stringent quality control to ensure consistency in downstream applications. Analytical techniques such as HPLC and NMR spectroscopy are routinely employed to verify the purity of this compound. The rise of green chemistry initiatives has also prompted investigations into more sustainable production methods for chloromethyl isoquinoline derivatives, addressing environmental concerns while maintaining yield efficiency.
In the context of market trends, the global demand for 4-(Chloromethyl)-Isoquinoline is projected to grow steadily, driven by its applications in pharmaceutical intermediates and agrochemical research. Suppliers and manufacturers are focusing on optimizing storage conditions (typically under inert atmospheres at controlled temperatures) to preserve the compound's stability. Frequently searched questions like "How to handle 4-(Chloromethyl)-Isoquinoline safely?" or "What are the alternatives to chloromethyl isoquinoline in synthesis?" reflect the practical challenges and innovation opportunities in this niche.
Emerging applications of 120277-71-6 include its use in fluorescence probes for biochemical assays and as a precursor for metal-organic frameworks (MOFs). These developments align with the broader scientific interest in multifunctional materials and diagnostic tools. Furthermore, computational chemistry studies utilizing AI-assisted molecular modeling are accelerating the exploration of new derivatives based on this scaffold, demonstrating how traditional compounds adapt to cutting-edge technologies.
For researchers sourcing 4-(Chloromethyl)-Isoquinoline, it's essential to consider parameters like batch-to-batch reproducibility and regulatory compliance (e.g., REACH, FDA guidelines). The compound's structure-activity relationship (SAR) data is frequently updated in platforms like PubChem and SciFinder, underscoring its relevance in hit-to-lead optimization workflows. As the scientific community prioritizes fragment-based drug design, the role of such heterocyclic building blocks will only expand.
In conclusion, 4-(Chloromethyl)-Isoquinoline (CAS No. 120277-71-6) exemplifies the intersection of classical organic chemistry and modern therapeutic innovation. Its adaptability across catalysis, material science, and bioconjugation techniques positions it as a compound of enduring significance. Future research directions may explore its enantioselective transformations or biocompatible derivatives, responding to the evolving needs of both academia and industry.
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