(η(4),η(4)-3,6-dimethylene-1,7-octadiene)FePMe2Ph | 163976-09-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (η(4),η(4)-3,6-dimethylene-1,7-octadiene)FePMe2Ph
• CAS: 163976-09-8
• 化学式: C₁₈H₂₅FeP
• 分子量: 328.217
• InChiKey: TXJNFKBDCQKCIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  二甲基苯基磷 、 3,6-Dimethylen-1,7-octadien 、 iron(dichloride)*1.5(tetrahydrofuran) 在 Mg 作用下， 以 四氢呋喃 为溶剂， 以16.5%的产率得到(η(4),η(4)-3,6-dimethylene-1,7-octadiene)FePMe2Ph
  参考文献：
  名称：

  Interaction of Acyclic Tetraenes and Trienes with Transition Metals: Organoiron Compounds

  摘要：

  The tetraene 3,6-dimethylene-1,7-octadiene (DMOD) reacts with zerovalent [FePR(3)] species (prepared by reduction of FeCl2 . nTHF with active Mg in the presence of the donor ligand) to give (eta(4),eta(4) -DMOD)FePR(3) compounds. The crystal structure of the PPh(3)-stabilized derivative (space group R ($) over bar 3, a = b = c = 20.290(9) Angstrom, alpha = beta = gamma = 117.47(3)degrees, Z = 6, R = 0.048, R(W) = 0.052) confirms that the iron atom lies at the center of a square pyramid with the P atom at the apex and the two 1,3-diene fragments forming the base. That the products of the reaction of the trienes 3-methylene-1,6-heptadiene (MHD) and 3-methylene-1,7-octadiene (MOD) with zerovalent [Fe((Pr2P)-P-i(CH2)(n)PPr2i)] species (n = 1, 2, 3) contain a triene molecule bonded in an eta(2),eta(4)-manner to the metal atom has been confirmed by X-ray diffraction for (eta(2),eta(4)-MHD)Fe((Pr2PC2H4PPr2i)-P-i) (space group P2(1)/c, a = 11.831(1) Angstrom, b = 9.744(1) Angstrom, c = 20.917(2) Angstrom, beta = 104.87(1)degrees, Z = 4, R 0.042, R(W) = 0.039). Warming a red ethereal solution of (eta(2),eta(4)-MOD)Fe((Pr2PC3H6PPr2i)-P-i) to room temperature causes dissociation of the nonconjugated double bond of the triene to give the green, paramagnetic compound (eta(4)-MOD)Fe(Pr-2(i)-PC3H6PPr2i) which reacts with CO to give the yellow, diamagnetic compound (eta(4)-MOD)Fe(CO)((Pr2PC3H6PPr2i)-P-i).

  DOI：

  10.1021/om00004a048

文献信息

• Interaction of Acyclic Tetraenes and Trienes with Transition Metals: Organoiron Compounds
  作者：P. W. Jolly、C. Kopiske、C. Krueger、A. Limberg

  DOI：10.1021/om00004a048

  日期：1995.4

  The tetraene 3,6-dimethylene-1,7-octadiene (DMOD) reacts with zerovalent [FePR(3)] species (prepared by reduction of FeCl2 . nTHF with active Mg in the presence of the donor ligand) to give (eta(4),eta(4) -DMOD)FePR(3) compounds. The crystal structure of the PPh(3)-stabilized derivative (space group R ($) over bar 3, a = b = c = 20.290(9) Angstrom, alpha = beta = gamma = 117.47(3)degrees, Z = 6, R = 0.048, R(W) = 0.052) confirms that the iron atom lies at the center of a square pyramid with the P atom at the apex and the two 1,3-diene fragments forming the base. That the products of the reaction of the trienes 3-methylene-1,6-heptadiene (MHD) and 3-methylene-1,7-octadiene (MOD) with zerovalent [Fe((Pr2P)-P-i(CH2)(n)PPr2i)] species (n = 1, 2, 3) contain a triene molecule bonded in an eta(2),eta(4)-manner to the metal atom has been confirmed by X-ray diffraction for (eta(2),eta(4)-MHD)Fe((Pr2PC2H4PPr2i)-P-i) (space group P2(1)/c, a = 11.831(1) Angstrom, b = 9.744(1) Angstrom, c = 20.917(2) Angstrom, beta = 104.87(1)degrees, Z = 4, R 0.042, R(W) = 0.039). Warming a red ethereal solution of (eta(2),eta(4)-MOD)Fe((Pr2PC3H6PPr2i)-P-i) to room temperature causes dissociation of the nonconjugated double bond of the triene to give the green, paramagnetic compound (eta(4)-MOD)Fe(Pr-2(i)-PC3H6PPr2i) which reacts with CO to give the yellow, diamagnetic compound (eta(4)-MOD)Fe(CO)((Pr2PC3H6PPr2i)-P-i).