1-(FcCC)3-[(CO)3Cr(η6-(C6H5)CC)]-5-Br-C6H3 | 1268341-42-9

• 英文名称: 1-(FcCC)3-[(CO)3Cr(η6-(C6H5)CC)]-5-Br-C6H3
• CAS: 1268341-42-9
• 化学式: C₂₉H₁₇BrCrFeO₃
• 分子量: 601.199
• InChiKey: MSQDJGKFWZJCEP-UHFFFAOYSA-N

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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  1-(FcCC)3-[(CO)3Cr(η6-(C6H5)CC)]-5-Br-C6H3 、 三甲基乙炔基硅 在 [(Ph₃P)2PdCl₂] 、 CuI 作用下， 以 三乙胺 为溶剂， 以88%的产率得到1-(FcCC)-3-[(CO)3Cr(η6-(C6H5)CC)]-5-(Me3SiCC)C6H3
  参考文献：
  名称：

  Mixed transition–metal complexes based on multitopic 1,3,5-triethynyl- and 1-diphenylphosphino-3,5-diethynyl-benzene linking units

  摘要：

  The synthesis and reaction chemistry of heteromultimetallic transition metal complexes in which Fc, [(eta(6)-C6H5)Cr(CO)(3)], [(Ar3P)Au], [AuC C-bpy] and [{[Ti](mu-sigma,pi-C CSiMe3)(2)}Cu](+) units (Fc = (eta(5)-C5H4)(eta(5)-C5H5)Fe; [Ti] = (eta(5)-C5H4SiMe3)(2)Ti; bpy = 2,2'-bipyridyl-5-yl) are linked by alkynyl-, benzene-and phosphane- or bipyridyl-based connecting moieties is discussed. In context with this background the preparation of neutral heterotrimetallic 1-(FcC C)-3-[(CO)(3)Cr(eta(6)-C6H5C C)]-5-[(Ph3P)AuC C]C6H3 (10) and ionic heteropentametallic [1-(FcC C)-3-[(CO)(3)Cr(eta(6)-C6H5C C)]-5-[(PPh2)AuC C-bpy({[Ti](mu-sigma,pi-C CSiMe3)(2)}Cu)]C6H3](PF6) (19) from 1-iodo-3,5-dibromobenzene (1) is reported by applying consecutive reaction methodologies including substitution, complexation and carbon-carbon cross-coupling reactions.The identities of all complexes have been confirmed by elemental analysis and IR, H-1 and P-31{H-1} NMR spectroscopy; heteropentametallic 19 was additionally characterized by ESI-TOF mass-spectrometry. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.029
• 作为产物：
  描述：

  tricarbonyl(η6-phenylacetylene)chromium(0) 、 1,3-dibromo-5-(ferrocenylethynyl)benzene 在 [(Ph₃P)2PdCl₂] 、 CuI 作用下， 以 三乙胺 为溶剂， 以59%的产率得到1-(FcCC)3-[(CO)3Cr(η6-(C6H5)CC)]-5-Br-C6H3
  参考文献：
  名称：

  Mixed transition–metal complexes based on multitopic 1,3,5-triethynyl- and 1-diphenylphosphino-3,5-diethynyl-benzene linking units

  摘要：

  The synthesis and reaction chemistry of heteromultimetallic transition metal complexes in which Fc, [(eta(6)-C6H5)Cr(CO)(3)], [(Ar3P)Au], [AuC C-bpy] and [{[Ti](mu-sigma,pi-C CSiMe3)(2)}Cu](+) units (Fc = (eta(5)-C5H4)(eta(5)-C5H5)Fe; [Ti] = (eta(5)-C5H4SiMe3)(2)Ti; bpy = 2,2'-bipyridyl-5-yl) are linked by alkynyl-, benzene-and phosphane- or bipyridyl-based connecting moieties is discussed. In context with this background the preparation of neutral heterotrimetallic 1-(FcC C)-3-[(CO)(3)Cr(eta(6)-C6H5C C)]-5-[(Ph3P)AuC C]C6H3 (10) and ionic heteropentametallic [1-(FcC C)-3-[(CO)(3)Cr(eta(6)-C6H5C C)]-5-[(PPh2)AuC C-bpy({[Ti](mu-sigma,pi-C CSiMe3)(2)}Cu)]C6H3](PF6) (19) from 1-iodo-3,5-dibromobenzene (1) is reported by applying consecutive reaction methodologies including substitution, complexation and carbon-carbon cross-coupling reactions.The identities of all complexes have been confirmed by elemental analysis and IR, H-1 and P-31{H-1} NMR spectroscopy; heteropentametallic 19 was additionally characterized by ESI-TOF mass-spectrometry. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.029