Lot numbers can be found on the outside label of a product:
2-Chloro-4,6-dimethylpyrimidine
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CAS No. 4472-44-0
- Cat. No. CS-W007770
- Purity≥98%
- MDL No.MFCD00023199
*For research and further manufacturing use only, not for direct human use.
Structure of 4472-44-0
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General Information
- CAS No. 4472-44-0
- Cat. No. CS-W007770
- Purity ≥98%
- MDL No. MFCD00023199
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇ClN₂
- Molecular Weight 142.59
- Synonym(s) Pyrimidine, 2-chloro-4,6-dimethyl-; 2-Chloro-4,6-dimethylpyrimidine
- SMILES CC1=CC(C)=NC(Cl)=N1
Description
2-Chloro-4,6-dimethylpyrimidine is a bench-stable, moisture-tolerant heterocyclic building block featuring a chlorine atom at the 2-position and methyl groups at the 4- and 6-positions. This electronic configuration enhances its reactivity in nucleophilic substitution processes, enabling efficient coupling with amines and thiols to form functionalized pyrimidine derivatives. The molecule's steric profile supports selective transformations, streamlining access to advanced intermediates in medicinal chemistry and agrochemical synthesis.
Application
2-Chloro-4,6-dimethylpyrimidine serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. Its chloro group facilitates nucleophilic substitution reactions with amines, thiols, and other soft nucleophiles under mild conditions. The methyl substituents enhance stability and modulate electronic properties, while the compound exhibits excellent bench stability and ease of purification—ideal for use in multi-step syntheses and API intermediate development.
Synthesis
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Route1
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34289-60-6 - ~75%
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In-stock
4472-44-0
References
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Bhasin; Arora, Ekta; Grover, Alka S.; Jyoti; Singh; Mehta; Bhasin, Aman K.K.; Jacob Journal of Organometallic Chemistry, 2013 , vol. 732, p. 137 - 141
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Route2
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108-79-2 - ~%
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In-stock
4472-44-0
References
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TORAY INDUSTRIES, INC. Patent: EP1840121 A1, 2007 ;
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Route3
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149605-42-5 - ~0%
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In-stock
4472-44-0
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771447-77-9
References
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Imperial Chemical Industries PLC Patent: US5266570 A1, 1993 ;
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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 25.78
- LogP 1.74684
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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