Lot numbers can be found on the outside label of a product:
2,4-Dichloro-5-ethylpyrimidine
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CAS No. 34171-40-9
- Cat. No. CS-W005213
- Purity≥97%
- MDL No.MFCD11040247
*For research and further manufacturing use only, not for direct human use.
Structure of 34171-40-9
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General Information
- CAS No. 34171-40-9
- Cat. No. CS-W005213
- Purity ≥97%
- MDL No. MFCD11040247
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆Cl₂N₂
- Molecular Weight 177.03
- Synonym(s) 2,4-dichloro-5-ethyl-pyrimidine
- SMILES CCC1=C(Cl)N=C(Cl)N=C1
Description
2,4-Dichloro-5-ethylpyrimidine serves as a pivotal electrophilic scaffold in heterocyclic synthesis, featuring reactive chlorine sites at C2 and C4 that enable selective functionalization. The ethyl substituent at C5 enhances solubility and modulates electronic properties, while the pyrimidine core provides a robust platform for coupling reactions under mild conditions. This compound demonstrates excellent stability and compatibility with diverse reaction environments.
Application
2,4-Dichloro-5-ethylpyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of pyrimidine-based scaffolds. The dichloro substitution pattern facilitates nucleophilic aromatic substitution reactions at C2 or C4, while the ethyl group at C5 provides steric and electronic modulation. Its bench-stable nature and compatibility with diverse coupling partners make it well-suited for iterative functionalization in API development workflows.
Synthesis
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Route1
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In-stock
4212-49-1 - ~99%
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In-stock
34171-40-9
References
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Taisho Pharmaceutical Co. Ltd.; Arena Pharmaceuticals, Inc. Patent: EP1464335 A2, 2004 ; Location in patent: Page/Page column 329 ; EP 1464335 A2
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Route2
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63857-18-1 - ~%
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In-stock
34171-40-9
References
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McIver, Edward G.; Bryans, Justin; Birchall, Kristian; Chugh, Jasveen; Drake, Thomas; Lewis, Stephen J.; Osborne, Joanne; Smiljanic-Hurley, Ela; Tsang, William; Kamal, Ahmad; Levy, Alison; Newman, Michelle; Taylor, Debra; Arthur, J. Simon C.; Clark, Kristopher; Cohen, Philip Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 23 p. 7169 - 7173,5
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Route3
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34171-37-4 - ~%
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In-stock
34171-40-9
References
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McIver, Edward G.; Bryans, Justin; Birchall, Kristian; Chugh, Jasveen; Drake, Thomas; Lewis, Stephen J.; Osborne, Joanne; Smiljanic-Hurley, Ela; Tsang, William; Kamal, Ahmad; Levy, Alison; Newman, Michelle; Taylor, Debra; Arthur, J. Simon C.; Clark, Kristopher; Cohen, Philip Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 23 p. 7169 - 7173,5
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅱ
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Hazard Statements : H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 25.78
- LogP 2.3458
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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