Lot numbers can be found on the outside label of a product:
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
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CAS No. 148550-51-0
- Cat. No. CS-0041837
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 148550-51-0
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General Information
- CAS No. 148550-51-0
- Cat. No. CS-0041837
- Purity ≥95%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀N₂O₄S
- Molecular Weight 230.24
- Synonym(s) ETHYL 2-(METHYLSULPHONYL)PYRIMIDINE-5-CARBOXYLATE
- SMILES CCOC(=O)C1=CN=C(N=C1)S(C)(=O)=O
Description
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a strategically positioned methylsulfonyl group that enhances solubility and electronic modulation. This compound integrates readily into synthetic sequences requiring electron-deficient pyrimidine scaffolds, enabling efficient coupling reactions in medicinal chemistry and agrochemical development workflows.
Application
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate serves as a versatile building block in medicinal chemistry, enabling the construction of pyrimidine-based scaffolds through standard coupling and functionalization reactions. The methylsulfonyl group enhances solubility and modulates electronic properties, while the ester functionality facilitates downstream transformations such as hydrolysis or amidation. Bench-stable and compatible with diverse reaction conditions, it functions effectively in multistep syntheses requiring orthogonality and predictable reactivity.
Synthesis
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Route1
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In-stock
73781-88-1 - ~84%
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In-stock
148550-51-0
References
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Forbes; Johnson; Thompson Synthetic Communications, 1993 , vol. 23, # 6 p. 715 - 723
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Route2
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5909-24-0 - ~%
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In-stock
148550-51-0
References
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Chiesi Farmaceutici S.p.A.; ARMANI, Elisabetta; Amari, Gabriele; Capaldi, Carmelida; Esposito, Oriana; Peretto, Ilaria Patent: US2013/79313 A1, 2013 ; Location in patent: Paragraph 1022; 1023 ;
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Route3
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5909-25-1 -
In-stock
73781-88-1
- ~22%
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In-stock
148550-51-0
References
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CHIESI FARMACEUTICI S.P.A.; ARMANI, Elisabetta; AMARI, Gabriele; CAPALDI, Carmelida; ESPOSITO, Oriana; PERETTO, Ilaria Patent: WO2013/45280 A1, 2013 ; Location in patent: Page/Page column 275; 276 ;
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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 86.22
- LogP 0.0568
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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