1-iodo-4-(oct-1'-ynyl)benzene | 502183-53-1

• 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: 1-iodo-4-(oct-1'-ynyl)benzene
• 英文别名: 1-Iodo-4-(oct-1-YN-1-YL)benzene；1-iodo-4-oct-1-ynylbenzene
• CAS: 502183-53-1
• 化学式: C₁₄H₁₇I
• 分子量: 312.193
• InChiKey: JLLHLFLJLKBCTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 tri-μ-carbonyl-1:3κ(2)C;1:4κ(2)C;3:4κ(2)C-heptacarbonyl-1κC,2κ(2)C,3κ(2)C,4κ(2)C-bis[1,2(η(5))-methylcyclopentadienyl]-tetrahedro-diiridiumdimolybdenum 、 1-iodo-4-(oct-1'-ynyl)benzene 以 二氯甲烷 为溶剂， 以61%的产率得到[Mo2Ir2(μ4-η2-Me(CH2)5C2-4-C6H4I)(CO)8(η5-C5H4Me)2]*CH2Cl2
  参考文献：
  名称：

  混合金属团簇化学。22.苯乙炔基连接的炔基配位6-铱铱簇的合成及晶体学，电化学和理论研究

  摘要：

  Reaction between the tetrahedral cluster compound Mo2Ir2(CO)10(η5-C5H4Me)2 (1) and 1-iodo-4-(oct-1‘-ynyl)benzene afforded the pseudooctahedral cluster Mo2Ir2{μ4-η2-Me(CH2)5C2-4-C6H4I}(CO)8(η5-C5H4Me)2 (7). Similar reactions of 1 and W2Ir2(CO)10(η5-C5H4Me)2 (2) with di- and triynes afforded the related mono-, di-, and tricluster compounds [M2Ir2(CO)8(η5-C5H4Me)2]3{μ12-η6-Me(CH2)5C2-4-C6H4C2C6H4-4-C2(CH2)5Me}

  DOI：

  10.1021/om020910k

文献信息

• Mixed-Metal Cluster Chemistry. 22. Synthesis and Crystallographic, Electrochemical, and Theoretical Studies of Alkyne-Coordinated Group 6−Iridium Clusters Linked by Phenyleneethynylene Groups
  作者：Nigel T. Lucas、Eleni G. A. Notaras、Simon Petrie、Robert Stranger、Mark G. Humphrey

  DOI：10.1021/om020910k

  日期：2003.2.1

  19 all show a reversible/quasi-reversible oxidation followed by an irreversible oxidation process. Compounds 18 and 19 (in which clusters are linked by long unsaturated bridges) exhibit one irreversible reduction process, whereas 12−14 (in which n cluster cores are linked by a phenylene unit) show n irreversible reduction processes. Density functional calculations indicate that oxidation and reduction

  Reaction between the tetrahedral cluster compound Mo2Ir2(CO)10(η5-C5H4Me)2 (1) and 1-iodo-4-(oct-1‘-ynyl)benzene afforded the pseudooctahedral cluster Mo2Ir2μ4-η2-Me(CH2)5C2-4-C6H4I}(CO)8(η5-C5H4Me)2 (7). Similar reactions of 1 and W2Ir2(CO)10(η5-C5H4Me)2 (2) with di- and triynes afforded the related mono-, di-, and tricluster compounds [M2Ir2(CO)8(η5-C5H4Me)2]3μ12-η6-Me(CH2)5C2-4-C6H4C2C6H4-4-C2(CH2)5Me}