Cas no 1192263-86-7 (Ethyl 5-Bromo-4,6-dichloronicotinate)
Ethyl 5-Bromo-4,6-dichloronicotinate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 5-Bromo-4,6-dichloronicotinate
- CS-0453495
- AKOS005073425
- ethyl 5-bromo-4,6-dichloropyridine-3-carboxylate
- 1192263-86-7
- ethyl5-bromo-4,6-dichloronicotinate
- KD-0750
- MFCD13193100
-
- MDL: MFCD13193100
- Inchi: 1S/C8H6BrCl2NO2/c1-2-14-8(13)4-3-12-7(11)5(9)6(4)10/h3H,2H2,1H3
- InChI Key: ODTKOAIVGLPTNA-UHFFFAOYSA-N
- SMILES: BrC1=C(N=CC(C(=O)OCC)=C1Cl)Cl
Computed Properties
- Exact Mass: 296.89590g/mol
- Monoisotopic Mass: 296.89590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 218
- 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: 3.4
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Melting Point: 35-37°
Ethyl 5-Bromo-4,6-dichloronicotinate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048688-500mg |
Ethyl 5-bromo-4,6-dichloronicotinate |
1192263-86-7 | >95% | 500mg |
4681CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048688-1g |
Ethyl 5-bromo-4,6-dichloronicotinate |
1192263-86-7 | >95% | 1g |
7200CNY | 2021-05-07 | |
| Alichem | A029207295-1g |
Ethyl 5-bromo-4,6-dichloronicotinate |
1192263-86-7 | 95% | 1g |
$733.52 | 2023-09-04 | |
| TRC | E901405-10mg |
Ethyl 5-Bromo-4,6-dichloronicotinate |
1192263-86-7 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E901405-50mg |
Ethyl 5-Bromo-4,6-dichloronicotinate |
1192263-86-7 | 50mg |
$ 185.00 | 2022-06-05 | ||
| TRC | E901405-100mg |
Ethyl 5-Bromo-4,6-dichloronicotinate |
1192263-86-7 | 100mg |
$ 275.00 | 2022-06-05 | ||
| Apollo Scientific | OR303820-500mg |
Ethyl 5-bromo-4,6-dichloronicotinate |
1192263-86-7 | 500mg |
£301.00 | 2025-02-20 | ||
| Apollo Scientific | OR303820-1g |
Ethyl 5-bromo-4,6-dichloronicotinate |
1192263-86-7 | 1g |
£462.00 | 2025-02-20 | ||
| abcr | AB270138-500 mg |
Ethyl 5-bromo-4,6-dichloronicotinate, 95%; . |
1192263-86-7 | 95% | 500mg |
€397.80 | 2023-04-26 | |
| abcr | AB270138-1 g |
Ethyl 5-bromo-4,6-dichloronicotinate, 95%; . |
1192263-86-7 | 95% | 1g |
€587.80 | 2023-04-26 |
Ethyl 5-Bromo-4,6-dichloronicotinate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on Ethyl 5-Bromo-4,6-dichloronicotinate
Comprehensive Overview of Ethyl 5-Bromo-4,6-dichloronicotinate (CAS No. 1192263-86-7): Properties, Applications, and Industry Insights
Ethyl 5-Bromo-4,6-dichloronicotinate (CAS No. 1192263-86-7) is a high-value nicotinic acid derivative widely recognized for its versatile applications in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. This halogenated compound, characterized by its bromine and chlorine substitutions, has garnered significant attention in recent years due to its role in facilitating C–H functionalization reactions and cross-coupling methodologies—topics frequently searched in AI-driven chemistry platforms.
The molecular structure of Ethyl 5-Bromo-4,6-dichloronicotinate features a pyridine core with strategic halogen placements, enabling selective modifications critical for drug discovery pipelines. Researchers increasingly explore its utility in kinase inhibitor development, a trending topic in cancer therapeutics, as evidenced by rising Google Scholar queries for "halogenated nicotinates in targeted therapy." Its ester group further enhances solubility, addressing a common challenge in bioavailability optimization—a key concern in modern pharmaceutical formulation.
In agrochemical innovation, this compound serves as a precursor for next-generation crop protection agents. Patent databases reveal growing interest in its derivatives for pest resistance management, aligning with global searches for "sustainable halogenated pesticides." The 4,6-dichloro substitution pattern contributes to enhanced binding affinity with biological targets, while the 5-bromo position allows for further structural diversification via Buchwald-Hartwig amination—a technique widely discussed in organic chemistry forums.
Material science applications leverage the compound’s ability to participate in metal-catalyzed transformations. Recent studies highlight its potential in constructing π-conjugated systems for organic electronics, a field generating substantial SEO traffic due to interest in flexible displays and energy storage devices. The ethyl ester moiety provides a handle for subsequent hydrolysis or transesterification, enabling precise tuning of electronic properties—a feature frequently cited in materials design publications.
From a synthetic chemistry perspective, CAS 1192263-86-7 exemplifies modern halogen dance strategies, where bromine and chlorine atoms direct regioselective reactions. This aligns with laboratory search trends for "controlling halogen migration in heterocycles." The compound’s stability under Pd-catalyzed conditions makes it invaluable for constructing polyhalogenated scaffolds—a hot topic in medicinal chemistry circles investigating allosteric modulator development.
Quality control protocols for Ethyl 5-Bromo-4,6-dichloronicotinate emphasize HPLC purity verification (>98%) and residual solvent analysis, reflecting industry demands for GMP-compliant intermediates. Analytical discussions frequently reference 19F NMR tracking of byproducts—a technique gaining traction in process chemistry optimization forums. Proper storage recommendations (2-8°C under inert atmosphere) address stability concerns raised in chemical supplier FAQs.
Emerging research explores enzymatic approaches to derivatize this compound, coinciding with increased searches for "biocatalysis in halogenated compound synthesis." The nicotinate backbone shows promise in enzyme cofactor analogs, particularly in NAD+ precursor studies—a trending area in anti-aging research. This dual applicability in small-molecule drugs and biochemical tools positions CAS 1192263-86-7 as a multifaceted research asset.
Environmental considerations drive innovation in green chemistry applications of this material. Recent publications describe solvent-free mechanochemical modifications of its halogenated pyridine core, responding to search queries about "waste-minimized heterocycle functionalization." Lifecycle assessments of its derivatives feature prominently in sustainable chemistry symposia, particularly regarding biodegradability enhancement strategies for halogen-containing compounds.
The commercial landscape for Ethyl 5-Bromo-4,6-dichloronicotinate reflects growing demand from contract research organizations (CROs) and custom synthesis providers. Market analyses note increased procurement for high-throughput screening libraries, correlating with PubMed citations for "diverse halogenated fragment collections." Suppliers increasingly provide QC-spectra bundles (IR, MS, NMR) to meet research reproducibility standards—a priority highlighted in recent scientific integrity discussions.
Future directions may exploit this compound’s potential in photoredox catalysis systems, given rising interest in "visible-light-mediated halogenation." Its balanced lipophilicity profile (calculated LogP ~2.1) makes it attractive for blood-brain barrier penetration studies—a recurrent theme in neuropharmacology searches. As structure-activity relationship (SAR) studies evolve, 1192263-86-7 will likely maintain relevance across multiple translational research domains.
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