Lot numbers can be found on the outside label of a product:
Ethyl 6-chloro-2-methylpyrimidine-4-carboxylate
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CAS No. 744253-37-0
- Cat. No. CS-W006940
- Purity≥95%
- MDL No.MFCD16987970
*For research and further manufacturing use only, not for direct human use.
Structure of 744253-37-0
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General Information
- CAS No. 744253-37-0
- Cat. No. CS-W006940
- Purity ≥95%
- MDL No. MFCD16987970
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉ClN₂O₂
- Molecular Weight 200.62
- Synonym(s) 4-PyriMidinecarboxylic acid, 6-chloro-2-Methyl-, ethyl ester
- SMILES O=C(C1=NC(C)=NC(Cl)=C1)OCC
Description
Ethyl 6-chloro-2-methylpyrimidine-4-carboxylate features a pyrimidine core with orthogonal functional handles: a chlorine at C6 enables nucleophilic substitution, while the ester group facilitates downstream derivatization. This bench-stable scaffold integrates readily into heterocyclic synthesis, offering efficient access to bioactive analogs through selective transformations.
Application
Ethyl 6-chloro-2-methylpyrimidine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds through nucleophilic substitution and cross-coupling reactions. The chloro group at C6 facilitates regioselective functionalization, while the ester and methyl substituents provide orthogonal reactivity for downstream modifications. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for medicinal chemistry campaigns and process development.
Synthesis
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Route1
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159326-53-1 - ~99%
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In-stock
744253-37-0
References
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Webb, Thomas R.; Moran, Terry; Huang, Charles Q.; McCarthy, James R.; Grigoriadis, Dimitri E.; Chen, Chen Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 15 p. 3869 - 3873
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Route2
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10302-94-0 - ~%
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In-stock
744253-37-0
References
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Webb, Thomas R.; Moran, Terry; Huang, Charles Q.; McCarthy, James R.; Grigoriadis, Dimitri E.; Chen, Chen Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 15 p. 3869 - 3873
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Route3
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In-stock
623-91-6 - ~%
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In-stock
744253-37-0
References
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Webb, Thomas R.; Moran, Terry; Huang, Charles Q.; McCarthy, James R.; Grigoriadis, Dimitri E.; Chen, Chen Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 15 p. 3869 - 3873
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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 52.08
- LogP 1.61512
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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