Lot numbers can be found on the outside label of a product:
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde
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CAS No. 33097-11-9
- Cat. No. CS-W002507
- Purity≥98%
- MDL No.MFCD00194954
*For research and further manufacturing use only, not for direct human use.
Structure of 33097-11-9
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General Information
- CAS No. 33097-11-9
- Cat. No. CS-W002507
- Purity ≥98%
- MDL No. MFCD00194954
- Storage -20°C, stored under nitrogen, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄Cl₂N₂OS
- Molecular Weight 223.08
- Synonym(s) 4,6-Dichloro-2-Methylsulfanyl-Pyrimidine-5-Carbaldehyde
- SMILES CSC1=NC(Cl)=C(C(Cl)=N1)C=O
Description
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde features a pyrimidine core functionalized with two chlorine atoms at C4 and C6, a methylthio group at C2, and a formyl substituent at C5. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling direct coupling in cross-coupling reactions and facilitating the synthesis of advanced pharmaceutical intermediates under standard conditions.
Application
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its dual chloro substituents facilitate nucleophilic aromatic substitution, while the aldehyde group supports imine formation and reductive amination. The methylthio group provides orthogonal functionalization potential, enhancing synthetic flexibility for targeted compound libraries. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses requiring precise regiocontrol and functional group tolerance.
Synthesis
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Route1
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In-stock
1979-98-2 - ~61%
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In-stock
33097-11-9
References
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WO2006/104889 A2, ; Page/Page column 113-114 ; WO 2006/104889 A2
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Route2
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In-stock
1979-98-2
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68-12-2 - ~59%
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In-stock
33097-11-9
References
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WO2007/147104 A2, ; Page/Page column 78-79 ; WO 2007/147104 A2
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Route3
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68-12-2
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In-stock
1979-98-2
- ~41%
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In-stock
33097-11-9
References
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WO2007/84560 A2, ; Page/Page column 105-106 ;
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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 42.85
- LogP 2.3178
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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