3-戊醇,3-乙基-,铜(1+)盐 | 163166-21-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 3-戊醇,3-乙基-,铜(1+)盐
• 英文名称: tert-heptoxycopper(I)
• CAS: 163166-21-0
• 化学式: C₇H₁₅O*Cu
• 分子量: 178.742
• InChiKey: PUIPQKLGYXHDMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  9.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-戊醇,3-乙基-,铜(1+)盐 、 以 四氢呋喃 为溶剂， 以19%的产率得到
  参考文献：
  名称：

  Crystal structures of the Ba–Cu(I) alkoxides Ba4Cu6(O) (OCEt3)12 and BaCu6(OCEt3)8

  摘要：

  A single crystal of the Ba-Cu(I) oxo-alkoxide Ba4Cu6(O)(OCEt3)(12) (1) was isolated from the reaction of Ba2Cu4(OCEt3)(8) (2) with oxygen. Oxo-alkoxide 1 crystallizes in the cubic space group 123 with the four Pa atoms distributed tetrahedrally around the central oxide ion and six Cu(OCEt3)(2)(-) units bridging each Pa atom to the three others. The Ba-Cu(I) alkoxides [BaCu(OCEt3)(3)](n) (3) and BaCu6(OCEt3)(8) (4) were also synthesized. Crystals were not obtained for 3, but the easily crystallized 4 has two Cu-3(OCEt3)(4)(-) moieties coordinated to a central Pa atom, and disproportionates in solution to many products. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00206-x
• 作为产物：
  描述：

  Et3CONa 、 copper(l) chloride 以 四氢呋喃 为溶剂， 以>95的产率得到3-戊醇,3-乙基-,铜(1+)盐
  参考文献：
  名称：

  Purdy; George; Callahan, Inorganic Chemistry, 1991, vol. 30, # 13, p. 2812 - 2819

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-氯-3-甲基-2-丁烯 、 (Z)-2-[3-phenyl-1-(trimethylsilyl)propan-1-ylidene]cyclohexanone 在 3-戊醇,3-乙基-,铜(1+)盐 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以42%的产率得到
  参考文献：
  名称：

  First anionic silyl migration from sp²carbon to carbonyl oxygen. Stereospecific allylation of (Z)-β-trimethylsilyl-α,β-unsaturated ketones

  摘要：

  通过使用铜(I)叔烷氧基处理(Z)-β-三甲基硅基-α,β-不饱和酮，实现了从sp2碳到羰基氧的1,4-硅基迁移，生成了乙烯基金属物种，这些物种与烯丙基卤反应，产生了β-烷-2-烯基-α,β-不饱和酮的烯醇三甲基硅醚，且构型保持完整。

  DOI：

  10.1039/b207325k

文献信息

• Structure and properties of heterometallic alkoxides containing copper(I)
  作者：Andrew P. Purdy、Clifford F. George

  DOI：10.1016/0277-5387(94)00301-t

  日期：1995.3

  The heterometallic Cu-I alkoxides Li4Cu4(OCMe(3))(8) (1) and Ba2Cu4(OCEt(3))(8) (3) were synthesized from the component single metal alkoxides in anhydrous THF solution. Only 1 sublimes without decomposition under vacuum (150 degrees C); 3 is non-volatile. Crystal structures were determined for 1, 3 and the previously reported Na4Cu4(OCEt(3))(8) (2). Compounds 1 and 2 have nearly identical M(4)Cu(4)O(8) cores consisting of two puckered M(2)O(2) rings related by a centre of symmetry and joined at the oxygens by two bridging copper atoms, and at the M edges by two nearly linear O-Cu-O units. Compound 3 has a Ba2(OR)(2) ring containing the centre of symmetry and is bridged by two Cu,(OR), units that are nearly perpendicular to the Ba2O2 ring. The two BaCu2O3 planes in 3 are parallel, but separated by 0.48 Angstrom A. Hydrolysis of compounds 1-3 in THF afforded an orange or orange-brown solid that was converted to the mixed metal oxide by thermolysis, but copper and Cu2O were also produced from the Li4Cu4(OCMe(3))(8) hydrolysis product.