tetrapropylazanium rutheniumoylolate

• ChemBase编号: 129811
• 分子式: C12H28NO4Ru
• 平均质量: 351.42502
• 单一同位素质量: 352.10618238
• SMILES: CCC[N+](CCC)(CCC)CCC.O=[Ru](=O)(=O)[O-]
• Canonical SMILES: [O-][Ru](=O)(=O)=O.CCC[N+](CCC)(CCC)CCC
• InChI: InChI=1S/C12H28N.4O.Ru/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-12H2,1-4H3;;;;;/q+1;;;;-1
• InChIKey: NQSIKKSFBQCBSI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetrapropylazanium rutheniumoylolate
• IUPAC传统名: tetrapropylammonium rutheniumoylolate
• 别名: 四丙基高钌酸铵; 四正丙基过钌(VII)酸铵; TPAP; Tetrapropylammonium perruthenate; Tetrapropylammonium perruthenate; Tetra-n-propylammonium perruthenate(VII)

登记号

• CAS号: 114615-82-6
• MDL号: MFCD00074914
• PubChem SID: 24889060; 24859883
• 维基百科标题: Tetrapropylammonium_perruthenate

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -0.45484576
• LogD (pH = 7.4): -0.45484576
• Log P: -0.45484576
• 摩尔折射率: 72.9921 cm^3
• 极化性: 24.346558 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Green solid
• 熔点: ~160 °C (dec.)(lit.); 160 °C (decomposition); 160°C dec.

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 氧化性(Oxidising) (O); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1479; UN1479
• 德国WGK号: 3
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 5-8-36/37/38
• 安全公开号: 17-26-36; 17-26-37
• TSCA收录: 否
• GHS危险品标识: GHS03; GHS07
• GHS警示词: Danger
• GHS危险声明: H272-H315-H319-H335
• GHS警示性声明: P220-P261-P305 + P351 + P338; P221-P210-P305+P351+P338-P302+P352-P405-P501A
• 个人保护装置: Eyeshields, 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 1479 5.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%; 98%
• 级别: purum
• 线性分子式: (CH3CH2CH2)4NRuO4

详细说明

Sigma Aldrich - 330744

Application
可溶、非挥发性、空气稳定的温和催化剂，可与适当的共氧化剂按化学计量或作为催化用途使用。
氧化剂，用于将 N,N′-二羟基咪唑啉转化为氮氧自由基。1将羟基取代的三-正丁基铵三氟硼酸盐氧化成醛和酮，而不会伴随碳-硼键的断裂。2,3
包装
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 88126

Other Notes
催化剂，用于在二氯甲烷中于 N-甲基吗啉-N-氧化物 (NMO) 介导下将醇温和氧化成羰基化合物1

参考文献

• For a brief feature on uses in synthesis, see: Synlett, 824 (2007).
• Selective, catalytic oxidant introduced by Ley. Normally used in combination with N-methylmorpholine-N-oxide as the stoichiometric reoxidant and 4A molecular sieves to remove water. Preferred solvents are dichloromethane and acetonitrile. Primary and secondary alcohols are oxidized to aldehydes and ketones in high yield: J. Chem. Soc., Chem. Commun., 1625 (1987). For an example of alcohol to aldehyde oxidation in the partial synthesis of the acyl tetronic acid ionophore tetronasin, see: Tetrahedron Lett., 35, 319 (1994). Also useful for a number of other oxidations such as lactols to lactones and sulfides to sulfones. For oxidation of secondary amines to imines, and of hydroxylamines to nitrones, see: Tetrahedron Lett., 35, 6567, 6571 (1994).
• For a comprehensive review of this reagent, see: Synthesis, 639 (1994). For a review of ruthenium oxo-complexes as organic oxidants, see: Chem. Soc. Rev., 21, 179 (1992).