trans-[FeH(4-chlorobutyronitrile)(dppe)2][BF4] | 252659-33-9

• 英文名称: trans-[FeH(4-chlorobutyronitrile)(dppe)2][BF4]
• CAS: 252659-33-9
• 化学式: BF₄*C₅₆H₅₅ClFeNP₄
• 分子量: 1044.06
• InChiKey: FYHODBAXWJWCIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  potassium cyanide 、 trans-[FeH(4-chlorobutyronitrile)(dppe)2][BF4] 以 甲醇 、 二氯甲烷 为溶剂， 以46%的产率得到trans-[FeH(CN)(PPh2(CH2)2PPh2)2]
  参考文献：
  名称：

  Iron(II)–nitrile complexes: synthesis, structure and property of trans-[FeH(NCR)(dppe)2]+X− (dppe=Ph2PCH2CH2PPh2: R=CH3, CH2CH2OCH3, CH2CH2CH2Cl, C6H5: X=Cl, BPh4, BF4)

  摘要：

  Dissolution of trans-FeHCl(dppe)(2), 1, in various nitriles under argon led to the formation of complexes of the type trans-[FeH(NCR)(dppe)(2)]Cl (2a (R = CH3), 3a (R = CH2CH2OMe), 4a (R = CH2CH2CH2Cl), 5a (R = Ph)) in several hours. Complexes 2a-4a could be further converted to trans-[FeH(NCR)(dppe)(2)][BPh4] (2b-4b) and trans-[FeH(NCR)(dppe)(2)[BF4] (2c-4c) when they were treated with NaBPh4 and NaBF4, respectively, The stability and electrochemical properties of these complexes appeared to depend mainly on their counteranions (Cl-, BPh4-, BF4-). Compounds 2b, 2c, 3b, 3c, 4b and 4c reacted with KCN or NaCN to give [FeH(CN)(dppe)(2)] (6). Compound 6 underwent electrophilic addition at the cyano nitrogen by RSO3CF3 (R = Me, H) to give FeH(CNR)(dppe)(2)][SO3CF3] (7a for R = Me, 7b for R = H). Crystallographic data for 2b: monoclinic space group P2(1)/c, a = 22.508(1) Angstrom, b = 16.120(1) Angstrom, c = 19.257(1) Angstrom, beta = 113.86(1)degrees, Z = 4, R(wR(2)) = 0.0361(0.0882). Crystallographic data for 3b: triclinic space group P (1) over bar, a = 13.240(1) Angstrom, b = 14.732(2) Angstrom, c = 19.807(1) Angstrom, alpha = 75.276(6)degrees, beta = 72.466(6)degrees, gamma = 82.033(6)degrees, Z = 2, R(wR(2)) = 0.0368(0.0835). Crystallographic data for 7a: monoclinic space group PZ,lc, a = 12.456(1) Angstrom, b = 21.880(3) Angstrom, c = 19.924(3) Angstrom, beta = 108.08(1)degrees, Z = 4, R(wR(2)) = 0.0663 (0.1647). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00392-7
• 作为产物：
  描述：

  氟硼酸钠 、 4-氯丁腈 、 trans-[FeH(4-chlorobutyronitrile)(dppe)2]Cl 以 further solvent(s) 为溶剂， 以67.4%的产率得到trans-[FeH(4-chlorobutyronitrile)(dppe)2][BF4]
  参考文献：
  名称：

  Iron(II)–nitrile complexes: synthesis, structure and property of trans-[FeH(NCR)(dppe)2]+X− (dppe=Ph2PCH2CH2PPh2: R=CH3, CH2CH2OCH3, CH2CH2CH2Cl, C6H5: X=Cl, BPh4, BF4)

  摘要：

  Dissolution of trans-FeHCl(dppe)(2), 1, in various nitriles under argon led to the formation of complexes of the type trans-[FeH(NCR)(dppe)(2)]Cl (2a (R = CH3), 3a (R = CH2CH2OMe), 4a (R = CH2CH2CH2Cl), 5a (R = Ph)) in several hours. Complexes 2a-4a could be further converted to trans-[FeH(NCR)(dppe)(2)][BPh4] (2b-4b) and trans-[FeH(NCR)(dppe)(2)[BF4] (2c-4c) when they were treated with NaBPh4 and NaBF4, respectively, The stability and electrochemical properties of these complexes appeared to depend mainly on their counteranions (Cl-, BPh4-, BF4-). Compounds 2b, 2c, 3b, 3c, 4b and 4c reacted with KCN or NaCN to give [FeH(CN)(dppe)(2)] (6). Compound 6 underwent electrophilic addition at the cyano nitrogen by RSO3CF3 (R = Me, H) to give FeH(CNR)(dppe)(2)][SO3CF3] (7a for R = Me, 7b for R = H). Crystallographic data for 2b: monoclinic space group P2(1)/c, a = 22.508(1) Angstrom, b = 16.120(1) Angstrom, c = 19.257(1) Angstrom, beta = 113.86(1)degrees, Z = 4, R(wR(2)) = 0.0361(0.0882). Crystallographic data for 3b: triclinic space group P (1) over bar, a = 13.240(1) Angstrom, b = 14.732(2) Angstrom, c = 19.807(1) Angstrom, alpha = 75.276(6)degrees, beta = 72.466(6)degrees, gamma = 82.033(6)degrees, Z = 2, R(wR(2)) = 0.0368(0.0835). Crystallographic data for 7a: monoclinic space group PZ,lc, a = 12.456(1) Angstrom, b = 21.880(3) Angstrom, c = 19.924(3) Angstrom, beta = 108.08(1)degrees, Z = 4, R(wR(2)) = 0.0663 (0.1647). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00392-7