copper(2+) ion ditrifluoromethanesulfonate

• ChemBase编号: 94639
• 分子式: C2CuF6O6S2
• 平均质量: 361.6842192
• 单一同位素质量: 360.83364654
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Cu+2].S(=O)(=O)([O-])C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Cu+2]
• InChI: InChI=1S/2CHF3O3S.Cu/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: SBTSVTLGWRLWOD-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: copper(2+) ion ditrifluoromethanesulfonate
• IUPAC传统名: copper(2+) ion ditriflate; copper(2+) ditriflate
• 别名: 三氟甲烷磺酸铜(II); Copper(II) triflate; Trifluoromethanesulfonic acid copper(II) salt; Copper(II) trifluoromethanesulfonate; Copper(II) triflate; Copper(II) trifluoromethanesulphonate 98%; copper(2+) ion bis(trifluoromethanesulfonate)

登记号

• CAS号: 34946-82-2
• EC号: 252-300-8
• MDL号: MFCD00077492; MFCD00013228
• Beilstein号: 4028198
• PubChem SID: 162081293
• PubChem CID: 2734996
• Chemspider ID: 2016731
• 维基百科标题: Copper(II)_triflate

理论计算性质

• Acid pKa: -3.4301212
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• 摩尔折射率: 15.8602 cm^3
• 极化性: 7.460577 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: very soluble, hygroscopic in water
• 外观: Powder; white to pale blue powder
• 熔点: >300°C; dec.
• 疏水性(logP): 0.0

安全信息

• 保存注意事项: Corrosive/Hygroscopic/Moisture Sensitive/Store under Argon; Hygroscopic
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN3261
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 34
• 安全公开号: 20-26-36/37/39-45-60
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS危险声明: H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

产品相关信息

• 纯度: 95%; 98%; 99% min

详细说明

Apollo Scientific Ltd - PC2096E

Can produce alkenes at ambient temperatures by catalytic dehydration of alcohols and diols: Helv. Chim. Acta, 70, 607 (1987)

参考文献

• Widely used to generate carbenoid species from ɑ-diazo esters and ketones, via in situ reduction to the Cu(I) species: J. Am. Chem. Soc., 95, 3300 (1973). Preferred reagent for intramolecular cyclization of various diazo ketones: J. Org. Chem., 49, 11496 (1984). Also promotes the reaction between diazo esters and imines to give aziridines: J. Chem. Soc., Chem. Commun., 1 (1995).
• Mild Lewis acid:
• Used catalytically, promotes dehydration of alcohols and diols to alkenes at ambient temperatures: Helv. Chim. Acta, 70, 607 (1987).
• Catalyzes syn-selective aldol condensation of (Z)-silyl enol ethers with aldehydes: Chem. Lett., 959 (1997).
• Friedel-Crafts alkylation and acylation reactions of aromatics are also catalyzed: Tetrahedron, 57, 241 (2001).
• For a brief feature on uses of the reagent in synthesis, see: Synlett, 1044 (2005).