(η5-C5Me5)Ru(η4-1,3-butadiene)Cl | 126821-62-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (η5-C5Me5)Ru(η4-1,3-butadiene)Cl
• CAS: 126821-62-3
• 化学式: C₁₄H₂₁ClRu
• 分子量: 325.844
• InChiKey: PKFKYJVWFOKJRY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.02
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  (η5-C5Me5)Ru(η4-1,3-butadiene)Cl 、 lithium 以 乙二醇二甲醚 为溶剂， 以61%的产率得到(η5-C5Me5)Ru(η4-1,3-butadiene)Li * 1,2-dimethoxyethane
  参考文献：
  名称：

  Fagan, Paul J.; Mahoney, Wayne S.; Calabrese, Joseph C., Organometallics, 1990, vol. 9, # 6, p. 1843 - 1852

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯(五甲基环戊二烯基)合钌(III)聚合物 、 1,3-丁二烯 在 锌 作用下， 以 甲醇 为溶剂， 以72%的产率得到(η5-C5Me5)Ru(η4-1,3-butadiene)Cl
  参考文献：
  名称：

  Oligomerization of butadiene with (η-C5R5)RuII complexes; stoichiometric and catalytic chemistry

  摘要：

  Treatment of (eta-C5R5)Ru(eta-butadiene)X; (R = H, Me; X = Br, Cl) with butadiene, in the presence of silver triflate, yielded cationic complexes with 1,3,7-octatriene ligands, produced from the C-C bond formation at both the terminal carbon atoms of two molecules of butadiene. In the pentamethyl-cyclopentadienyl system the octatriene ligand was cyclodimerized to 1,5-cyclooctadiene when treated with carbon monoxide. The ligand structure was elucidated by NMR spectroscopy. Catalytic reactions on these systems have also been studied.

  DOI：

  10.1016/0022-328x(92)83245-d
• 作为试剂：
  描述：

  1,5-已二烯 、 1,3-丁二烯 在 (η5-C5Me5)Ru(η4-1,3-butadiene)Cl 、 silver trifluoromethanesulfonate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 48.0h， 生成 1,5-cis,cis-cyclooctadiene 、 1,5,9-癸三烯 、 5-methylenenona-1,8-diene 、 5-methyl-1,4,8-nonatriene
  参考文献：
  名称：

  区域特异性Cp★Ru +介导共轭二烯与非共轭1,5-二烯的共二聚及其在催化冷聚反应中的应用

  摘要：

  当的Cp★的RuCl（η 4 -丁二烯）（1 ;其中Cp★η 5 -C 5我5）在等于或低于环境温度下用在三氟甲磺酸银（的AgOTf）存在过量的1,5-己二烯的后处理，通过在非共轭二烯的内部碳原子上的区域特异性C4同系物获得阳离子钌的2-（3'-丁烯基）-1,5-己二烯络合物。这种化学计量的CC键扩展到丁二烯与1，5-己二烯或1-己烯的催化共聚和逐步低聚。

  DOI：

  10.1016/0022-328x(93)83257-v

文献信息

• Stoichiometric and Catalytic Dimerization of Conjugated Dienes with (C5R5)Ru(diene)+
  作者：Kenji Itoh、Katsuyuki Masuda、Takahiko Fukahori、Katsumasa Nakano、Katsuyuki Aoki、Hideo Nagashima

  DOI：10.1021/om00015a040

  日期：1994.3

  When Cp*Ru(eta4-butadiene)X (Cp* = eta5-C5Me5; la, X = Cl; 1b, X = Br) was treated with excess butadiene in the presence of silver trifluoromethanesulfonate (AgOTf) followed by carbon monoxide (1 atm), 1,5-cyclooctadiene complex [Cp*Ru(eta2:eta2-C8H12)(CO)]OTf (2) was isolated in 79% yield. Similar [4 + 4] cycloaddition occurred in the reaction of Cp*Ru(eta4-isoprene)Cl (1c) with isoprene, AgOTf, and CO to give [Cp*Ru(eta2:eta2-cis-3,7-dimethyl-1,5-cyclooctadiene)-(CO)]OTf (4a) at ambient temperature. Similar reaction of Cp*Ru(eta4-1,3-pentadiene)Cl (1d) with 1,3-pentadiene, however, furnished [Cp*Ru(4-methyl-(1,3-eta3:6-8-eta3)-nonadienediyl)]OTf (5) in the presence of AgOTf as result of regiospecific linear dimerization. This stoichiometric regioselective dimerization was extended to catalytic formation of 1,5-cyclooctadiene, dimethylcyclooctadienes, and 6-methyl-2,4,7-nonatriene from butadiene, isoprene, or 1,3-pentadiene, respectively, with a catalytic amount of 1b, 1c, or 1d and AgOTf. Alternatively, treatment of butadiene with CpRu(eta4-butadiene)Br (Cp = eta5-C5H5) and AgOTf induced linear dimerization of butadiene, and [CpRu(eta4:eta2-1,3,7-octatriene)]OTf (6) was obtained in 98% yield by way of single-step C-C bond formation.
• Masuda, Katsuyuki; Ohkita, Hironobu; Kurumatani, Shigeru, Organometallics, 1993, vol. 12, # 6, p. 2221 - 2226
  作者：Masuda, Katsuyuki、Ohkita, Hironobu、Kurumatani, Shigeru、Itoh, Kenji

  DOI：——

  日期：——
• Fagan, Paul J.; Mahoney, Wayne S.; Calabrese, Joseph C., Organometallics, 1990, vol. 9, # 6, p. 1843 - 1852
  作者：Fagan, Paul J.、Mahoney, Wayne S.、Calabrese, Joseph C.、Williams, Ian D.

  DOI：——

  日期：——
• Oligomerization of butadiene with (η-C5R5)RuII complexes; stoichiometric and catalytic chemistry
  作者：Katsuyuki Masuda、Katsumasa Nakano、Takahiko Fukahori、Hideo Nagashima、Kenji Itoh

  DOI：10.1016/0022-328x(92)83245-d

  日期：1992.4

  Treatment of (eta-C5R5)Ru(eta-butadiene)X; (R = H, Me; X = Br, Cl) with butadiene, in the presence of silver triflate, yielded cationic complexes with 1,3,7-octatriene ligands, produced from the C-C bond formation at both the terminal carbon atoms of two molecules of butadiene. In the pentamethyl-cyclopentadienyl system the octatriene ligand was cyclodimerized to 1,5-cyclooctadiene when treated with carbon monoxide. The ligand structure was elucidated by NMR spectroscopy. Catalytic reactions on these systems have also been studied.
• Regiospecific Cp★Ru+ mediated codimerization of conjugated dienes with non-conjugated 1,5-dienes and its application to catalytic cooligomerization
  作者：Katsuyuki Masuda、Hironobu Ohkita、Shigeru Kurumatani、Kenji Itoh

  DOI：10.1016/0022-328x(93)83257-v

  日期：1993.7

  5-hexadiene complex of cationic ruthenium was obtained by regiospecific C4 homologation at the internal carbon atom of the non-conjugated diene. This stoichiometric CC bonding was extended to the catalytic codimerization and stepwise oligomerization of butadiene with 1,5-hexadiene or 1-hexene.

  当的Cp★的RuCl（η 4 -丁二烯）（1 ;其中Cp★η 5 -C 5我5）在等于或低于环境温度下用在三氟甲磺酸银（的AgOTf）存在过量的1,5-己二烯的后处理，通过在非共轭二烯的内部碳原子上的区域特异性C4同系物获得阳离子钌的2-（3'-丁烯基）-1,5-己二烯络合物。这种化学计量的CC键扩展到丁二烯与1，5-己二烯或1-己烯的催化共聚和逐步低聚。