zinc(2+) ion ditrifluoromethanesulfonate

• ChemBase编号: 99940
• 分子式: C2F6O6S2Zn
• 平均质量: 363.5182192
• 单一同位素质量: 361.83319104
• SMILES: [Zn+2].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Zn+2]
• InChI: InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: CITILBVTAYEWKR-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion ditrifluoromethanesulfonate
• IUPAC传统名: zinc, ion (zn2+) ditriflate; zinc(2+) ion ditriflate
• 别名: 三氟甲基磺酸 锌盐; 三氟甲磺酸锌; 三氟甲烷磺酸锌; Zinc(II) triflate; Zinc(II) trifluoromethanesulphonate 98%; Zinc trifluoromethanesulfonate; Bis(trifluoromethanesulfonato)zinc; Zinc trifluoromethylsulfonate; Zn(OTf)2; Trifluoromethanesulfonic acid zinc salt; Zinc triflate; Zinc trifluoromethanesulfonate

登记号

• CAS号: 54010-75-2
• EC号: 258-922-6
• MDL号: MFCD00013229
• Beilstein号: 4028195
• PubChem SID: 24890314; 24857423; 162086186
• PubChem CID: 104671
• Chemspider ID: 94493
• 维基百科标题: Zinc_trifluoromethanesulfonate

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

• 外观: White powder
• 熔点: >300°C; >300°C; ≥300 °C(lit.)

安全信息

• 保存注意事项: Corrosive/Hygroscopic/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: 3261; UN3261
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-60
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

产品相关信息

• 纯度: ≥98.0% (KT); 98%
• 级别: purum
• 线性分子式: (CF3SO3)2Zn

详细说明

Sigma Aldrich - 290068

Application
双硫缩酮合成催化剂。1
包装
10, 50 g in glass bottle

Sigma Aldrich - 96517

Other Notes
Koenigs-Knorr 型苷化法的优质试剂1,2；酮的硫缩酮化反应催化剂3

参考文献

• Useful, alone or in combination with TMS chloride, for glycosidation reactions: Chem. Pharm. Bull., 40, 2909 (1992); 41, 201 (1993); 42, 1808 (1994).
• Promotes the aldol reaction of silyl enol ethers with aldehydes: Gazz. Chim. Ital., 123, 673 (1993).
• Mild Lewis acid catalyst which promotes thioketalization, particularly of acid-sensitive substrates, with ethanedithiol: Tetrahedron Lett., 24, 169 (1983); J. Am. Chem. Soc., 105, 1662 (1983).
• In combination with N-methylephedrine, catalyzes enantioselective addition of terminal alkynes to aldehydes to give propargylic alcohols in high yield and ee: J. Am. Chem. Soc., 122, 1806 (2000).