bicyclo<4.3.0>non-3,4-ene | 16613-73-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: bicyclo<4.3.0>non-3,4-ene
• 英文别名: Δ⁵-Tetrahydro-indan；Tetrahydroindan；2,3,3a,4,7,7a-Hexahydro-1H-indene
• CAS: 16613-73-3
• 化学式: C₉H₁₄
• 分子量: 122.21
• InChiKey: UZURTQHPMXADGG-UHFFFAOYSA-N

物化性质

• 沸点：
  164.4±7.0 °C(Predicted)
• 密度：
  0.912±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 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：

  bicyclo<4.3.0>non-3,4-ene 在 platinum(IV) oxide 作用下， 生成 cis-hydrindane 、 trans-octahydro-1H-indene
  参考文献：
  名称：

  Ring distortion effect on δ13C values of bicyclo[4.n.0] alkanes

  摘要：

  AbstractThe 13C NMR spectra of trans‐ and cis‐fused bicyclo[4.n.0]alkanes, where n=4, 3 and 2, were determined. The distortion of the six membered ring, which is due to the strain arising from the 1,2 fusion of cyclohexane with a smaller ring, is apparent mainly for the chemical shifts of the ring junction carbons. Both for the trans‐and for the cis‐fused hydrocarbons the results support a cyclohexane in a chair conformation, distorted to a different degree according to the size of the other ring. The geometries of the different compounds in the series were calculated.

  DOI：

  10.1002/mrc.1270190307
• 作为产物：
  描述：

  8-oxo-cis-bicyclo[4,3,0]nona-3-ene 以90%的产率得到
  参考文献：
  名称：

  KRAWCZYK, ANDRZEJ R.;JONES, J. BRYAN, J. ORG. CHEM., 54,(1989) N, C. 1795-1801

  摘要：

  DOI：

文献信息

• KRAWCZYK, ANDRZEJ R.;JONES, J. BRYAN, J. ORG. CHEM., 54,(1989) N, C. 1795-1801
  作者：KRAWCZYK, ANDRZEJ R.、JONES, J. BRYAN

  DOI：——

  日期：——
• DUBITSKAYA, N. F.;XAJBULLINA, E. A.;PEXK, T. I.;GRISHIN, YU. K.;BELIKOVA,+, ZH. ORGAN. XIMII, 1985, 21, N 8, 1738-1742
  作者：DUBITSKAYA, N. F.、XAJBULLINA, E. A.、PEXK, T. I.、GRISHIN, YU. K.、BELIKOVA,+

  DOI：——

  日期：——
• LUKOVSKAYA, E. V.;BOBYLEVA, A. A.;PEXK, T. I.;DUBITSKAYA, N. F.;PETRUSHEN+, ZH. ORGAN. XIMII, 24,(1988) N 7, 1457-1463
  作者：LUKOVSKAYA, E. V.、BOBYLEVA, A. A.、PEXK, T. I.、DUBITSKAYA, N. F.、PETRUSHEN+

  DOI：——

  日期：——
• Ring distortion effect on δ13C values of bicyclo[4.n.0] alkanes
  作者：P. Metzger、C. Cabestaing、E. Casadevall、A. Casadevall

  DOI：10.1002/mrc.1270190307

  日期：1982.7

  AbstractThe 13C NMR spectra of trans‐ and cis‐fused bicyclo[4.n.0]alkanes, where n=4, 3 and 2, were determined. The distortion of the six membered ring, which is due to the strain arising from the 1,2 fusion of cyclohexane with a smaller ring, is apparent mainly for the chemical shifts of the ring junction carbons. Both for the trans‐and for the cis‐fused hydrocarbons the results support a cyclohexane in a chair conformation, distorted to a different degree according to the size of the other ring. The geometries of the different compounds in the series were calculated.