manganese(3+) ion triacetate dihydrate

• ChemBase编号: 287316
• 分子式: C6H13MnO8
• 平均质量: 268.100669
• 单一同位素质量: 267.99908748
• SMILES: O=C([O-])C.[Mn+3].[O-]C(=O)C.[O-]C(=O)C.O.O
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.O.O.[Mn+3]
• InChI: InChI=1S/3C2H4O2.Mn.2H2O/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;2*1H2/q;;;+3;;/p-3
• InChIKey: ONJSLAKTVIZUQS-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: manganese(3+) ion triacetate dihydrate
• IUPAC传统名: manganese(3+) ion triacetate dihydrate
• 别名: 乙酸锰(III)水合物; Manganese(III) acetate hydrate; Triacetoxymanganese dihydrate

登记号

• CAS号: 19513-05-4
• EC号: 213-602-5
• MDL号: MFCD00150022
• PubChem SID: 180672847
• PubChem CID: 12416832

理论计算性质

• Acid pKa: 4.54344
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 23.4808 cm^3
• 极化性: 4.912116 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Crystalline
• 密度: 1.59

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 95+%; 96%

参考文献

• Selective oxidizing agent in a variety of applications, usually involving free-radical mechanisms (compare Lead(IV) acetate, A15551). For brief reviews, see: J. Prakt. Chem./ Chem. Ztg., 339, 488 (1997); Synlett, 835 (2002). Examples:
• Acetoxylation of benzylic or allylic C-H bonds: Chem. Commun., 507 (1970); J. Chem. Soc. (C), 2355 (1971); J. Org. Chem., 45, 3906 (1980); methylene groups ɑ- to a conjugated ketone can also be acetoxylated: Tetrahedron Lett., 25, 5839 (1984); Synthesis, 1119 (1990). For an improved procedure for the acetoxylation of enones in acetic acid, see: Tetrahedron, 60, 3427 (2004). Arylation of active methylene compounds: J. Org. Chem., 54, 2703, 2713 (1989). Reaction of olefins with carboxylic acids to give -lactones: J. Am. Chem. Soc., 96, 7977 (1974); J. Am. Chem. Soc., 106, 5384 (1984). Reaction with cyanoacetic or malonic acids gives the appropriate ɑ-substituted -lactones: Tetrahedron Lett., 26, 4291 (1985). For a review of Mn(III)-mediated reactions of unsaturated systems, see: Synthesis, 833 (1993). See also Diethyl allylmalonate, L02286. For a review of Mn(III)-based oxidative free-radical cyclizations, see: Chem. Rev., 96, 339 (1996).
• With arylboronic acids the corresponding radicals are generated, which can couple with aromatic or heteroaromatic (furan, thiophene) solvents to give biaryls and heterobiaryls in good yields. Various sensitive functional groups are tolerated: J. Org. Chem., 68, 578 (2003).