6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one

• ChemBase编号: 140226
• 分子式: C30H30EuF21O6
• 平均质量: 1037.4860672
• 单一同位素质量: 1038.0919363
• SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/O[Eu](O/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/C(C)(C)C)(C)C
• Canonical SMILES: O=C(C(C(C(F)(F)F)(F)F)(F)F)/C=C(\C(C)(C)C)/O[Eu](O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C)O/C(=C\C(=O)C(C(C(F)(F)F)(F)F)(F)F)/C(C)(C)C
• InChI: InChI=1S/3C10H11F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3
• InChIKey: PTQJQBFRLLGICD-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• IUPAC传统名: 6-({bis[(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-yl)oxy]europio}oxy)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloct-5-en-4-one
• 别名: Sievers 试剂; 三(1,1,1,2,2,3,3-七氟-7,7-二甲基-4,6-辛二酮酸)铕(III); 三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮酸)铕; Eu(fod)3; Europium(III)-tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate); Sievers’ Reagent; Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)europium; Resolve-Al™ EuFOD

登记号

• CAS号: 17631-68-4
• EC号: 241-616-1
• MDL号: MFCD00064655
• PubChem SID: 24849895; 162234470
• PubChem CID: 71310387

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 13.5285
• LogD (pH = 7.4): 13.5285
• Log P: 13.5285
• 摩尔折射率: 153.4944 cm^3
• 极化性: 62.309982 Å^3
• 极化表面积: 78.9 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 203-207 °C

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 99%
• 线性分子式: Eu(OCC(CH3)3CHCOCF2CF2CF3)3

详细说明

Sigma Aldrich - 160938

Application
当与 Resolve-Al AgFOD 结合使用时，可为芳香族化合物、1铵盐2以及锍和异硫脲卤化物提供有效的 NMR 位移试剂。3
General description
在氧代琥珀酸盐衍生物的自由基介导烯丙基化反应中增强立体选择性。
包装
1, 5 g in glass bottle
100 mg in glass bottle
法律信息
Resolve-Al 商标 Sigma-Aldrich Co. LLC