Lot numbers can be found on the outside label of a product:
4-Chloro-6-methyl-2-(methylthio)pyrimidine
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CAS No. 17119-73-2
- Cat. No. CS-W009050
- Purity≥95%
- MDL No.MFCD00023233
*For research and further manufacturing use only, not for direct human use.
Structure of 17119-73-2
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General Information
- CAS No. 17119-73-2
- Cat. No. CS-W009050
- Purity ≥95%
- MDL No. MFCD00023233
- Storage -20°C, stored under nitrogen, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇ClN₂S
- Molecular Weight 174.65
- Synonym(s) 4-Chloro-6-methyl-2-(methylthio)pyrimidine; 4-chloro-6-methyl-2-Methylthio Pyrimidine
- SMILES CSC1=NC(C)=CC(Cl)=N1
Description
4-Chloro-6-methyl-2-(methylthio)pyrimidine is a heterocyclic building block featuring a chlorinated pyrimidine core with methyl and methylthio substituents. This configuration imparts enhanced reactivity in cross-coupling processes and facilitates incorporation into pharmaceutical scaffolds requiring electron-deficient aromatic systems. The molecule demonstrates stability under standard handling conditions, enabling straightforward integration into synthetic workflows.
Application
4-Chloro-6-methyl-2-(methylthio)pyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. Its electrophilic chlorine at C4 facilitates nucleophilic substitution under mild conditions, while the methylthio group offers orthogonal reactivity for further functionalization. Bench-stable and readily purified by column chromatography, it functions effectively in coupling reactions and serves as a key intermediate in the development of agrochemical and medicinal chemistry candidates.
Synthesis
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Route1
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In-stock
6328-58-1 - ~88%
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In-stock
17119-73-2
References
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Davey, David D.; Adler, Marc; Arnaiz, Damian; Eagen, Keith; Erickson, Shawn; Guilford, William; Kenrick, Margaret; Morrissey, Michael M.; Ohlmeyer, Mike; Pan, Gonghua; Paradkar, Vidyadhar M.; Parkinson, John; Polokoff, Mark; Saionz, Kurt; Santos, Cecile; Subramanyam, Babu; Vergona, Ron; Wei, Robert G.; Whitlow, Marc; Ye, Bin; Zhao, Zuchun; Devlin, James J.; Phillips, Gary Journal of Medicinal Chemistry, 2007 , vol. 50, # 6 p. 1146 - 1157
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Route2
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49844-90-8 - ~%
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In-stock
17119-73-2
References
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EP1754706 A1, ; Page/Page column 34 ;
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Route3
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49844-90-8
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917-54-4
- ~%
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In-stock
17119-73-2
References
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EP1790650 A1, ; Page/Page column 56 ;
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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 2.16032
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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