lanthanum(3+) ion tritrifluoromethanesulfonate

• ChemBase编号: 97940
• 分子式: C3F9LaO9S3
• 平均质量: 586.1128288
• 单一同位素质量: 585.76242656
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].[La+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[La+3]
• InChI: InChI=1S/3CHF3O3S.La/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: WGJJZRVGLPOKQT-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: lanthanum(3+) ion tritrifluoromethanesulfonate
• IUPAC传统名: lanthanum(3+) tritriflate; lanthanum(3+) ion tritriflate
• 别名: 无水三氟甲基磺酸镧; 三氟甲基磺酸镧(III); 三氟甲磺酸 镧盐; 三氟甲磺酸镧(III); Lanthanum triflate; Lanthanum trifluoromethanesulfonate, anhydrous; Lanthanum trifluoromethanesulphonate 98%; La(OTf)3; Lanthanum tris(trifluoromethanesulfonate); Tris(trifluoromethanesulfonato)lanthanum; Lanthanum(III) triflate; Trifluoromethanesulfonic acid lanthanum salt; Lanthanum(III) trifluoromethanesulfonate

登记号

• CAS号: 52093-26-2
• MDL号: MFCD00077560
• Beilstein号: 9009103
• PubChem SID: 162084418; 24866932; 24882152
• PubChem CID: 2733938

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: 3
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Hygroscopic; Irritant
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 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): III
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H314-H318; H315-H319-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (T); 99%; 99.999% trace metals basis
• 级别: purum
• 线性分子式: (CF3SO3)3La

详细说明

Sigma Aldrich - 430609

Application
一种耐水路易斯酸，用于硅烯醇醚与醛的羟醛反应。1
包装
5, 25 g in glass bottle

Sigma Aldrich - 61560

Other Notes
由有机锂制备有机镧化物，以用于由酰胺合成酮1；胺和腈加成反应生成脒的催化剂2；糖基化反应的催化剂3；综述4

参考文献

• Effective catalyst for the Baylis-Hillman reaction, using 1,4-Diazabicyclo[2.2.2]octane, A14003, increasing the rate up to 40-fold: J. Org. Chem., 63, 7183 (1998). Catalyzes Michael additions to methyl vinyl ketone in water: J. Org. Chem., 71, 352 (2006). The uses of rare-earth metal triflates in organic synthesis have been reviewed by S. Kobayashi: Synlett, 689 (1994); Chem. Rev., 102, 2227 (2002).