Lot numbers can be found on the outside label of a product:
Ethyl 4,6-dichloronicotinate
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CAS No. 40296-46-6
- Cat. No. CS-W002558
- Purity≥98%
- MDL No.MFCD00234408
*For research and further manufacturing use only, not for direct human use.
Structure of 40296-46-6
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General Information
- CAS No. 40296-46-6
- Cat. No. CS-W002558
- Purity ≥98%
- MDL No. MFCD00234408
- Storage 4°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇Cl₂NO₂
- Molecular Weight 220.05
- Synonym(s) None
- SMILES CCOC(C1=CN=C(Cl)C=C1Cl)=O
Description
Ethyl 4,6-dichloronicotinate is a bench-stable, moisture-tolerant ester featuring a dichlorinated pyridine core. This electron-deficient heterocycle integrates readily into synthetic sequences requiring halogen-directed functionalization. The ethyl ester group enables straightforward derivatization, streamlining access to advanced intermediates in medicinal chemistry and agrochemical development.
Application
Ethyl 4,6-dichloronicotinate serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted nicotinates and heterocyclic scaffolds. Its dual chloro groups at the 4- and 6-positions provide orthogonal sites for nucleophilic substitution, facilitating sequential functionalization. The ester functionality supports compatibility with standard coupling and reduction protocols, while the compound exhibits excellent bench stability and ease of purification—ideal for iterative synthesis in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
6975-44-6 - ~96%
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In-stock
40296-46-6
References
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Montoir, David; Tonnerre, Alain; Duflos, Muriel; Bazin, Marc-Antoine European Journal of Organic Chemistry, 2014 , vol. 2014, # 7 p. 1487 - 1495
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Route2
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In-stock
105-50-0 - ~%
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In-stock
40296-46-6
References
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BIOTA EUROPE LTD; TYNDALL, Edward Malcolm; CZAPLEWSKI, Lloyd George; FISHWICK, Colin William Gordon; YULE, Ian Andrew; MITCHELL, Jeffrey Peter; ANDERSON, Kelly Helen; PITT, Gary Robert William Patent: WO2013/91011 A1, 2013 ;
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Route3
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In-stock
73027-79-9 - ~%
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In-stock
40296-46-6
References
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Kohlmann, Anna; Zech, Stephan G.; Li, Feng; Zhou, Tianjun; Squillace, Rachel M.; Commodore, Lois; Greenfield, Matthew T.; Lu, Xiaohui; Miller, David P.; Huang, Wei-Sheng; Qi, Jiwei; Thomas, R. Mathew; Wang, Yihan; Zhang, Sen; Dodd, Rory; Liu, Shuangying; Xu, Rongsong; Xu, Yongjin; Miret, Juan J.; Rivera, Victor; Clackson, Tim; Shakespeare, William C.; Zhu, Xiaotian; Dalgarno, David C. Journal of Medicinal Chemistry, 2013 , vol. 56, # 3 p. 1023 - 1040
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 2.5651
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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