Lot numbers can be found on the outside label of a product:
4,6-dichloro-2-methyl-5-nitropyrimidine
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CAS No. 13162-43-1
- Cat. No. CS-W000839
- Purity≥98%
- MDL No.MFCD00060527
*For research and further manufacturing use only, not for direct human use.
Structure of 13162-43-1
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General Information
- CAS No. 13162-43-1
- Cat. No. CS-W000839
- Purity ≥98%
- MDL No. MFCD00060527
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₃Cl₂N₃O₂
- Molecular Weight 208.00
- Synonym(s) Pyrimidine, 4,6-dichloro-2-methyl-5-nitro-
- SMILES Cc1nc(Cl)c(c(Cl)n1)[N+]([O-])=O
Description
4,6-Dichloro-2-methyl-5-nitropyrimidine features a sterically hindered pyrimidine core with electron-deficient character, enabling selective coupling reactions under mild conditions. The dichloro substitution pattern facilitates nucleophilic aromatic substitution, while the methyl and nitro groups enhance regioselectivity in heterocyclic synthesis. This bench-stable reagent streamlines access to functionalized pyrimidines for medicinal chemistry applications.
Application
4,6-Dichloro-2-methyl-5-nitropyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via nucleophilic substitution at the C4 and C6 positions. The electron-withdrawing nitro group enhances reactivity, while the methyl substituent provides steric and electronic modulation. Its bench-stable nature and compatibility with diverse coupling partners facilitate rapid access to substituted pyrimidines relevant to kinase inhibitor and antiviral scaffolds.
Synthesis
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Route1
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In-stock
53925-27-2 - ~78%
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In-stock
13162-43-1
References
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Kowa Company, Ltd. Patent: US6849647 B1, 2005 ; Location in patent: Page/Page column 134 ;
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Route2
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In-stock
1194-22-5 - ~%
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In-stock
13162-43-1
References
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Journal of Medicinal Chemistry, , vol. 43, # 22 p. 4288 - 4312
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Route3
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680881-02-1 - ~%
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In-stock
13162-43-1
References
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Chemische Berichte, , vol. 71, p. 87,99
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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 68.92
- LogP 2.00002
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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