Cas no 945717-60-2 (Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate)
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical research. Its key structural features include a trifluoromethyl group and an ester functionality, which enhance its reactivity and versatility as a synthetic intermediate. The compound is particularly valued for its role in the development of bioactive molecules, owing to the electron-withdrawing properties of the trifluoromethyl group, which can improve metabolic stability and binding affinity. The ethyl ester moiety further facilitates derivatization, making it a practical building block for heterocyclic chemistry. Its well-defined purity and stability under standard conditions ensure reliable performance in synthetic applications.
945717-60-2 structure
Product Name:Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate
CAS No:945717-60-2
MF:C9H9F3N2O2
MW:234.175172567368
MDL:MFCD19443461
CID:4781021
Update Time:2025-06-07
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate
- 6-methyl-2-trifluoromethyl-pyrimidine-4-carboxylic acid ethyl ester
- Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate
-
- MDL： MFCD19443461
- Inchi： 1S/C9H9F3N2O2/c1-3-16-7(15)6-4-5(2)13-8(14-6)9(10,11)12/h4H,3H2,1-2H3
- InChI Key： FBSFWDOFMQDRDV-UHFFFAOYSA-N
- SMILES： FC(C1=NC(C)=CC(C(=O)OCC)=N1)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 258
- XLogP3: 2.1
- Topological Polar Surface Area: 52.1
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 208901-5g |
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate, 95% |
945717-60-2 | 95% | 5g |
$2257.00 | 2023-09-06 |
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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