(trifluoromethyl)copper; 1,10-phenanthroline

• ChemBase编号: 136680
• 分子式: C13H8CuF3N2
• 平均质量: 312.7572296
• 单一同位素质量: 311.99355543
• SMILES: c1cc2ccc3cccnc3c2nc1.C(F)(F)(F)[Cu]
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.FC([Cu])(F)F
• InChI: InChI=1S/C12H8N2.CF3.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2-1(3)4;/h1-8H
• InChIKey: CUQZQRIIFNWQSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (trifluoromethyl)copper; 1,10-phenanthroline
• IUPAC传统名: (trifluoromethyl)copper; phen
• 别名: Trifluoromethylator®; Trifluoromethyl(1,10-phenanthroline)copper

登记号

• CAS号: 1300746-79-5
• MDL号: MFCD19690901
• PubChem SID: 162230950
• PubChem CID: 53341617

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• 摩尔折射率: 53.9006 cm^3
• 极化性: 23.776546 Å^3
• 极化表面积: 25.78 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C13H8CuF3N2

详细说明

Sigma Aldrich - L510009

Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Application
Trifluoromethylator, A New Arene Trifluoromethylation Reagent: (Phen)Cu-CF3(Phen)Cu-CF3 is an easily handled, thermally stable, single-component reagent for the trifluoromethylation of aryl iodides. Electron-rich and electron-deficient iodoarenes, as well as sterically-hindered iodoarenes, react in high yield under mild conditions. Electrophilic functional groups, including aldehydes, nitroarenes, ketones and esters are tolerated. The substrate scope of this reagent is broad and the reagent has wide applicability for trifluoromethylation reactions.1
法律信息
Trifluoromethylator is a registered trademark of Catylix, Inc