trans-[Fe(H)(CNCH2CH=CH2)(1,2-bis(diphenylphosphino)ethane)2]Br | 325789-00-2

• 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: trans-[Fe(H)(CNCH2CH=CH2)(1,2-bis(diphenylphosphino)ethane)2]Br
• 英文别名: bromo(hydrido)iron;2-diphenylphosphanylethyl(diphenyl)phosphane;3-isocyanoprop-1-ene
• CAS: 325789-00-2
• 化学式: Br*C₅₆H₅₄FeNP₄
• 分子量: 1000.7
• InChiKey: WOAPRZHSOAUTHM-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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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  trans-[FeH(CN)(PPh2(CH2)2PPh2)2] 、 3-溴丙烯 以 further solvent(s) 为溶剂， 以75%的产率得到trans-[Fe(H)(CNCH2CH=CH2)(1,2-bis(diphenylphosphino)ethane)2]Br
  参考文献：
  名称：

  Electrophilic attack of alkyl halide at the cyanide nitrogen in trans-[Fe(H)(CN)(dppe)2]: preparation, structure, and properties of trans-[Fe(H)(CNR)(dppe)2]X (dppe=Ph2PCH2CH2PPh2; R=Me, Et, Pr, i-Pr, n-Bu, CH2CH2Br, CH2CH2CH2I, CH2CHCH2, CH2CCH; X=Br, I)

  摘要：

  Compound trans-[FeH(CN)(dppe)(2)] (1) reacted with alkyl iodides or alkyl bromides to give Fe(II)-organic isocyanide complexes of the type trans-[FeH(CNR)(dppe)(2)]X[X = I: R = Me (2), Et (3), Pr (4), CH2CH2CH2I (5), i-Pr (6), CH2CH=CH2 (7); X = Br: R = Et (8), Pr (9), n-Bu (10), CH2CH2Br (11), CH2CH=CH2 (12), CH2C double bond CH (13)]. Compound 1 reacted with BF3 to give a Lewis acid-base adduct, trans-[FeH(CN -->BF3)(dppe)(2)]. Compounds 5 and 13 were characterized structurally by X-ray diffraction, in which the hydride ligand appears to be involved in the dihydrogen bonding, M-H . . .H-C. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00252-8