Lot numbers can be found on the outside label of a product:
Ethyl 6-chloro-5-cyano-2-methylnicotinate
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CAS No. 64119-42-2
- Cat. No. CS-0097778
- Purity≥97%
- MDL No.MFCD00179894
*For research and further manufacturing use only, not for direct human use.
Structure of 64119-42-2
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General Information
- CAS No. 64119-42-2
- Cat. No. CS-0097778
- Purity ≥97%
- MDL No. MFCD00179894
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉ClN₂O₂
- Molecular Weight 224.64
- Synonym(s) Ethyl 6-chloro-5-cyano-2-methylpyridine-3-carboxylate
- SMILES O=C(C1=CC(C#N)=C(Cl)N=C1C)OCC
Description
Ethyl 6-chloro-5-cyano-2-methylnicotinate features a trifunctional heterocyclic core with orthogonal reactivity. The electron-deficient pyridine ring, flanked by a chloro group at C6 and a cyano moiety at C5, enables selective functionalization. The ethyl ester and methyl substituent offer tunable solubility and compatibility in synthetic transformations. This scaffold serves as a key intermediate in the development of bioactive molecules and pharmaceutical candidates.
Application
Ethyl 6-chloro-5-cyano-2-methylnicotinate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted nicotinates and pyridine derivatives. The molecule combines a reactive chloro group at C6 with a cyano functionality at C5, facilitating nucleophilic substitution and cyclization reactions. Its ethyl ester and methyl substituent support broad functional group tolerance and ease of purification, making it well-suited for medicinal chemistry campaigns and process-scale applications.
Synthesis
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Route1
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In-stock
52600-52-9 - ~95%
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In-stock
64119-42-2
References
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Bach, Peter; Bostroem, Jonas; Brickmann, Kay; Van Giezen; Groneberg, Robert D.; Harvey, Darren M.; O'Sullivan, Michael; Zetterberg, Fredrik European Journal of Medicinal Chemistry, 2013 , vol. 65, p. 360 - 375
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Route2
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137522-47-5 - ~67%
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In-stock
64119-42-2
References
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Da Silva, Daniel; Samadi, Abdelouahid; Chioua, Mourad; Do Carmo Carreiras, Maria; Marco-Contelles, Jose Synthesis, 2010 , # 16 art. no. P05210SS, p. 2725 - 2730
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Route3
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In-stock
141-97-9 - ~%
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In-stock
64119-42-2
References
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Bell, Stephen J.; McIntyre, Steve; Garcia, Conchita F.; Kitson, Sean L; Therkelsen, Frans; Andersen, Soren M; Zetterberg, Fredrik; Aurell, Carl-Johan; Bollmark, Martin; Ehrl, Robert Organic Process Research and Development, 2012 , vol. 16, # 5 p. 819 - 823
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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 62.98
- LogP 2.0918
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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