But-3-enylbenzene;carbon monoxide;chromium | 57003-09-5

• 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: But-3-enylbenzene;carbon monoxide;chromium
• 英文别名: but-3-enylbenzene;carbon monoxide;chromium
• CAS: 57003-09-5
• 化学式: C₁₂H₁₂CrO₂
• 分子量: 240.222
• InChiKey: URWXSFJDLPWJQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  But-3-enylbenzene;carbon monoxide;chromium 、 三苯基膦 以 苯 为溶剂， 以83%的产率得到But-3-enylbenzene;carbon monoxide;chromium;triphenylphosphane
  参考文献：
  名称：

  Synthesis of η-arene derivatives of chromium and molybdenum containing Lewis-acid boron substituents

  摘要：

  The compounds Ph(CH2)(3)B(OH)(2) I, [Ph(CH2)(3)BO](3) II, Ph(CH2)(3)B(1,2-O2C6H4) III, Ph(CH2)(3)BC8H14 IV (BC8H14 = 9-borabicyclo[3.3.1]nonam-9-yl), [Cr{eta-Ph(CH2)(3)B(1,2-O2C6H4)}(CO)(3)] 1, [Cr{eta-Ph(CH2)(3)BC8H14}(C))(3)] 2, [Cr{eta-Ph(CH2)(3)BBR(2) . SMe(2)}(CO)(3)] 3, [Cr{eta-Ph(CH2)(4)BC8H14}(C))(3)] 4, [Cr(eta-Ph(CH2)(4)BC8H14}(CO)(2)(PPH3)] 5, [Cr{eta-PhCH(2)CH=CH2}(CO)(3)] 6, [Cr{eta-Ph(CH2)(2)CH=CH2}(CO)(3)] 7, [Cr{eta-Ph(CH2)(2) eta-CH=CH2}(CO)(2)] 8, [Cr{eta-Ph(CH2)(2)CH=CH2}(CO2(PPh(3))] 9, [Li(Et(2)O)(n)][Cr{eta-PhCH(2)CH=CH2}(CO)(2){C(O)Ph}] 10, [Li(Et(2)O)(n)][Cr{eta-Ph(CH2)(2)CH=CH2}(CO)(2){C(O)Ph}] 11, [Mo{eta-Ph(CH2)(3)BC8H14}(2)] 12 and [Cr{eta-Ph(CH2)(3)BOC8H14}(CO)(3)] 13, have been prepared and characterised. Compounds 1-5, 12 and 13 have pi-donor eta-arene ligands which also bear a Lewis-acid sigma-acceptor boron group. There was no evidence that these boron groups formed ground-state intra- or inter-molecular interactions with the Lewis base functions of the carbonyl oxygen atoms.

  DOI：

  10.1039/dt9960002467
• 作为产物：
  描述：

  But-3-enylbenzene;carbon monoxide;chromium 以 Petroleum ether 为溶剂， 以91%的产率得到But-3-enylbenzene;carbon monoxide;chromium
  参考文献：
  名称：

  Synthesis of η-arene derivatives of chromium and molybdenum containing Lewis-acid boron substituents

  摘要：

  The compounds Ph(CH2)(3)B(OH)(2) I, [Ph(CH2)(3)BO](3) II, Ph(CH2)(3)B(1,2-O2C6H4) III, Ph(CH2)(3)BC8H14 IV (BC8H14 = 9-borabicyclo[3.3.1]nonam-9-yl), [Cr{eta-Ph(CH2)(3)B(1,2-O2C6H4)}(CO)(3)] 1, [Cr{eta-Ph(CH2)(3)BC8H14}(C))(3)] 2, [Cr{eta-Ph(CH2)(3)BBR(2) . SMe(2)}(CO)(3)] 3, [Cr{eta-Ph(CH2)(4)BC8H14}(C))(3)] 4, [Cr(eta-Ph(CH2)(4)BC8H14}(CO)(2)(PPH3)] 5, [Cr{eta-PhCH(2)CH=CH2}(CO)(3)] 6, [Cr{eta-Ph(CH2)(2)CH=CH2}(CO)(3)] 7, [Cr{eta-Ph(CH2)(2) eta-CH=CH2}(CO)(2)] 8, [Cr{eta-Ph(CH2)(2)CH=CH2}(CO2(PPh(3))] 9, [Li(Et(2)O)(n)][Cr{eta-PhCH(2)CH=CH2}(CO)(2){C(O)Ph}] 10, [Li(Et(2)O)(n)][Cr{eta-Ph(CH2)(2)CH=CH2}(CO)(2){C(O)Ph}] 11, [Mo{eta-Ph(CH2)(3)BC8H14}(2)] 12 and [Cr{eta-Ph(CH2)(3)BOC8H14}(CO)(3)] 13, have been prepared and characterised. Compounds 1-5, 12 and 13 have pi-donor eta-arene ligands which also bear a Lewis-acid sigma-acceptor boron group. There was no evidence that these boron groups formed ground-state intra- or inter-molecular interactions with the Lewis base functions of the carbonyl oxygen atoms.

  DOI：

  10.1039/dt9960002467

文献信息

• Synthesis of η-arene derivatives of chromium and molybdenum containing Lewis-acid boron substituents
  作者：Malcolm L. H. Green、Matthias Wagner

  DOI：10.1039/dt9960002467

  日期：——

  The compounds Ph(CH2)(3)B(OH)(2) I, [Ph(CH2)(3)BO](3) II, Ph(CH2)(3)B(1,2-O2C6H4) III, Ph(CH2)(3)BC8H14 IV (BC8H14 = 9-borabicyclo[3.3.1]nonam-9-yl), [Creta-Ph(CH2)(3)B(1,2-O2C6H4)}(CO)(3)] 1, [Creta-Ph(CH2)(3)BC8H14}(C))(3)] 2, [Creta-Ph(CH2)(3)BBR(2) . SMe(2)}(CO)(3)] 3, [Creta-Ph(CH2)(4)BC8H14}(C))(3)] 4, [Cr(eta-Ph(CH2)(4)BC8H14}(CO)(2)(PPH3)] 5, [Creta-PhCH(2)CH=CH2}(CO)(3)] 6, [Creta-Ph(CH2)(2)CH=CH2}(CO)(3)] 7, [Creta-Ph(CH2)(2) eta-CH=CH2}(CO)(2)] 8, [Creta-Ph(CH2)(2)CH=CH2}(CO2(PPh(3))] 9, [Li(Et(2)O)(n)][Creta-PhCH(2)CH=CH2}(CO)(2)C(O)Ph}] 10, [Li(Et(2)O)(n)][Creta-Ph(CH2)(2)CH=CH2}(CO)(2)C(O)Ph}] 11, [Moeta-Ph(CH2)(3)BC8H14}(2)] 12 and [Creta-Ph(CH2)(3)BOC8H14}(CO)(3)] 13, have been prepared and characterised. Compounds 1-5, 12 and 13 have pi-donor eta-arene ligands which also bear a Lewis-acid sigma-acceptor boron group. There was no evidence that these boron groups formed ground-state intra- or inter-molecular interactions with the Lewis base functions of the carbonyl oxygen atoms.