[Re(η2-p-CH3C6H4NCHS)(NO)(P(C6H5)3)2(P(C6H5)(OC2H5)2)][B(C6H5)4] | 861637-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: [Re(η2-p-CH3C6H4NCHS)(NO)(P(C6H5)3)2(P(C6H5)(OC2H5)2)][B(C6H5)4]
• CAS: 861637-23-2
• 化学式: C₂₄H₂₀B*C₅₄H₅₃N₂O₃P₃ReS
• 分子量: 1408.45
• InChiKey: MTKDWDCMSFQOID-UHFFFAOYSA-M

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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 三氟甲磺酸 、 四苯硼钠 、 对甲苯异硫氰酸酯 以 乙醇 、 二氯甲烷 为溶剂， 以65%的产率得到[Re(η2-p-CH3C6H4NCHS)(NO)(P(C6H5)3)2(P(C6H5)(OC2H5)2)][B(C6H5)4]
  参考文献：
  名称：

  Insertion of heteroallenes into the rhenium–hydride bond

  摘要：

  Dithioformato [Re{eta(2)-SC(H)S}(NO)P-3]BPh4 (1), thioformamido [Re{eta(2)-RNC(H)S}(NO)P-3]BPh4 (2) (R = Et, p-tolyl), form-amido [Re{eta(2)-PhNC(H)O}(NO)P-3]BPh4 (3) and formamidinato [Re{eta(2)-p-tolylNC(H)Np-tolyl}(NO)P-3]BPh4 (4) (P = PPh2OEt) complexes were prepared by allowing the hydride ReH2(NO)P-3 to react first with triflic acid and then with the appropriate heteroallene CS2, RNCS, PhNCO and p-tolyINCNp-tolyl. Treatment of the ReH2(NO)L(PPh3)(2) [L = P(OEt)(3), PPh(OEt)(2)] and ReH2(NO) (PPh3)(3) hydrides first with triflic acid and then with isothiocyanate RNCS (R = Et, p-tolyl) gave the [Re{eta(2)-RNC(H)S}(NO) {P(OEt)(3)}(PPh3)(2)]BPh4 (5, 6) and [Re(eta(2)-RNC(H)S)(NO)(PPh3)(3)]BPh4 (7) derivatives. Depending on the nature of the phosphite, instead, the reaction of ReH2(NO)L(PPh3)(2) and ReH2(NO)(PPh3)(3) hydrides first with CF3SO3H and then with isocyanate RINCO (R1 = Ph, p-tolyl) gave the chelate [Re{eta(2)-R1NC(H)O}(NO){P(OEt)(3)}(PPh3)(2)]BPh4 (8) and [Re{eta(2)-RINC(H)O} (NO)(PPh3)(3)]BPh4 (10) complexes with P(OEt)(3) or PPh3, while the eta(1)-coordinate [Re{eta(1)-RNC(H)S}(NO){PPh(OEt)(2)}(2)(PPh3)(2)]BPh4 (9) derivative was obtained with the PPh(OEt)(2) phosphite ligand. eta(1)-Coordinate dithioformato [Re{eta(1)-SC(H)=S}(NO) {PPh(OEt)(2)}(2)(PPh3)(2)]BPh4 (11) and formato [Re{eta(1)-OC(H)=O}(NO){PPh(OEt)(2)}(2)(PPh3)(2)]BPh4 (12) complexes, as well as the formamidinato [Re{eta(2)-p-tolylNC(H)Np-tolyl}(NO){P(OEt)(3)}(PPh3)(2)]BPh4 (13) derivative were also prepared. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.04.026