[(C6H5)CaI(tetrahydrofuran)4] | 898268-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [(C6H5)CaI(tetrahydrofuran)4]
• 英文别名: [(C₆H₅)CaI(tetrahydrofuran)₄]；[(C₆H₅)CaI(thf)₄]；[(thf)₄Ca(Ph)(I)]；[Ca(Ph)(I)(thf)₄]；[(thf)₄Ca(Ph)I]；[CaI(ph)(thf)₄]；(thf)4Ca(Ph)I
• CAS: 898268-92-3
• 化学式: C₂₂H₃₇CaIO₄
• 分子量: 532.516
• InChiKey: KCFWFVLVEXDXMG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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反应信息

• 作为反应物：
  描述：

  二乙二醇二甲醚 、 [(C6H5)CaI(tetrahydrofuran)4] 反应 0.5h， 以96%的产率得到[(diethylene glycol dimethyl ether)₂CaI]⁺I^-
  参考文献：
  名称：

  路易斯酸性溶剂化的苯基钙阳离子的稳定性和反应性

  摘要：

  格利雅豪华：的phenylcalcium碘化物形式的1,2-二甲氧基乙烷加合物的独特的溶剂分离物种[（DME）3 CAPH] +我-具有高度路易斯酸性的金属中心。DME的降解发生时，产生甲醇钙笼，如[{（DME）的Ca} 4（CAI）2（μ 3 -OMe）8（μ 6 -O）]，和甲基乙烯基醚。该图显示了[（dme）3 CaPh] +的晶体结构（Ca棕色，C灰色，O红色）。

  DOI：

  10.1002/anie.201209897

文献信息

• Halide-Free Diarylcalcium Complexes-Syntheses, Structures, and Stability
  作者：Jens Langer、Mathias Köhler、Helmar Görls、Matthias Westerhausen

  DOI：10.1002/chem.201304429

  日期：2014.3.10

  A general procedure was developed for the synthesis of diarylcalcium complexes by addition of KOtBu to arylcalcium iodides in THF. Intermediate arylcalcium tert‐butanolate dismutates immediately leading to insoluble tert‐butanolate precipitates of calcium. Depending on the steric demand and denticity of additional neutral aliphatic azabases, mononuclear or dinuclear complexes trans‐[Ca(α‐Naph)2(thf)4]

  的一般方法是为通过加入KO的合成diarylcalcium络合物的开发吨卜在THF arylcalcium碘化物。中间arylcalcium叔-buTAnolate歧化立即导致不溶性叔钙的丁醇沉淀。取决于附加中性脂族azabases，单核或立体需求和齿合度双核配合物的反式的[Ca（α -萘）2（THF）4 ]（1），内[Ca（β-萘）2（THF）4 ]（2）内[Ca（TOL）2（TMEDA）] 2（3），内[Ca（PH）2乙二胺（TMEDA）] 2（4），内[Ca（PH）2（PMDTA）（THF）]（5），内[Ca（HMTETA）（PH）2 ]（6），和内[Ca（[18] C-6 ）（PH）2 ]（7）中分离（的Naph =萘基; MEDA = N，N，N'，N'-四甲基乙二胺; PMDTA = N，N，N'，N''，N'' -五甲基; HMTETA = N，N，N'，N''，N'''，N'''
• Arylcalcium halides as substrates in Kumada-type cross-coupling reactions
  作者：Jens Langer、Mathias Köhler、Helmar Görls、Matthias Westerhausen

  DOI：10.1016/j.jorganchem.2013.07.022

  日期：2014.2

  A precondition of a Kumada-type cross-coupling reaction with arylcalcium halides is the easy availability of these organometallics. Arylcalcium halides are accessible with high yields via reduction of arylhalides with activated calcium in ethers such as tetrahydrofuran. In order to demonstrate the generality of this Grignard-type reduction of haloarenes, [(4-BrC6H4) CaI(thf)(4)] (1) and [(beta-naphthyl)CaBr(thf)(4)] (2) are prepared. First investigations regarding arylcalcium halides as substrates in cross-coupling reactions are undertaken choosing [(C6H5)CaI(thf)(4)] (3) and [(4-CH3C6H4) CaI(thf)(4)] (4) as the organometallic substrate in a cross-coupling with chlorobenzene and 4-chlorotoluene. The nickel-mediated conversion of arylcalcium iodides and chloroarenes to (substituted) biphenyls proceeds with moderate yields and significant amounts of homo-coupling products are observed. (c) 2013 Elsevier B.V. All rights reserved.
• Synthesis and Properties of Calcium Tetraorganylalanates with [Me_4−<i>n</i>AlPh_<i>n</i>]⁻ Anions
  作者：Sven Krieck、Helmar Görls、Matthias Westerhausen

  DOI：10.1021/om800509p

  日期：2008.10.13

  Triphenylalane yields in THF or Et2O the corresponding ether complexes [(thf)AlPh3] (1a) and [(Et2O)-AlPh3] (1b). The reaction of these triphenylalanes with phenylcalcium iodide in THF yielded quantitatively [(thf)(5)CaI][AlPh4] (2), which can be recrystallized from diethyl ether/THF mixtures without ether exchange reactions. The reaction of PhCa(thf)(4)I with trimethylalane in THF in an equimolar ratio leads to the formation of solvent-separated [(thf)(6)Ca][AlMe3Ph](2) (5). which immediately shows ligand redistribution. Therefore, a fractionated crystallization gives [(thf)(6)Ca][AlMe2Ph2](2) (4) at 4 degrees C, [(thf)(4)CaI2] at -20 degrees C, and after reduction of the volume of the mother liquor [(thf)(6)Ca][AlMe3Ph](2) (5) at -40 degrees C and [(thf)(6)Ca][AlMe4](2) (6) at -78 degrees C. The formation of (thf)(4)CaI2 confirms that a Schlenk equilibrium is operative besides the ligand redistribution reactions. A solution of crystalline [(thf)(6)Ca][AlMe2Ph2](2) (4) in THF shows 4 as the major component besides [(thf)(6)Ca][AlMe3Ph](2) (5) and [(thf)(6)Ca][AlMePh3](2) (3). With an increasing number of methyl groups the melting points decrease from 210 degrees C for the tetraphenylalanate 2 to 20 degrees C for the tetramethylalanate 6.
• Stability and Reactivity of Phenylstrontium Compounds in Solution
  作者：Jens Langer、Helmar Görls、Matthias Westerhausen

  DOI：10.1021/om900888g

  日期：2010.5.10

  Fragmentation of tetrahydrofuran (thf) and N,N,N',N'-tetramethylethylenediamine (tmeda) by PhSrI leads to the formation of the new organostrontium compounds [(tmeda)Sr(I)(mu-Ph)(2)-mu-N(Me)CH2CH2NMe2)Sr(tmeda)], [(tmeda)Sr(I)(mu-Ph)(mu-I)mu-N(Me)CH2CH2NMe2)Sr(tmeda)], and [(tmeda)Sr}(4)(mu(4)-O)(mu-I)(4)(mu-Ph)(2)].