4,5,6,6a-tetrahydro-2-(4-methoxyphenyl)-1(3aH)-pentalenone | 157406-68-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,5,6,6a-tetrahydro-2-(4-methoxyphenyl)-1(3aH)-pentalenone
• 英文别名: 4,5,6,6a-Tetrahydro-2-(4-methoxyphenyl)-1(3aH)pentalenone；2-(4-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
• CAS: 157406-68-3
• 化学式: C₁₅H₁₆O₂
• 分子量: 228.291
• InChiKey: XUOJHRHMPYHSGI-UHFFFAOYSA-N

物化性质

• 沸点：
  389.9±31.0 °C(predicted)
• 密度：
  1.147±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5,6,6a-tetrahydro-2-(4-methoxyphenyl)-1(3aH)-pentalenone 在 potassium fluoride 、 四氯化钛 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 methyl 2-(4-methoxyphenyl)-3-oxo-octahydropentalene-1-acetate
  参考文献：
  名称：

  Clements, Carol J.; Dumoulin, Denis; Hamilton, David R., Journal of Chemical Research, Miniprint, 1998, # 10, p. 2658 - 2677

  摘要：

  DOI：
• 作为产物：
  描述：

  4-乙炔基苯甲醚 以 甲苯 为溶剂， 反应 0.08h， 生成 4,5,6,6a-tetrahydro-2-(4-methoxyphenyl)-1(3aH)-pentalenone
  参考文献：
  名称：

  Pauson–Khand Reactions in a Photochemical Flow Microreactor

  摘要：

  Pauson-Khand reactions were achieved at ambient temperature without any additive using a photochemical flow microreactor. The efficiency of the reaction was better than that in a conventional batch reactor, and the reaction could be operated continuously for 1 h.

  DOI：

  10.1021/ol4008519

文献信息

• Use of fused ring cyclopentanones and cyclopentenones in controlling plant growth
  申请人：The University of Strathclyde

  公开号：US06174840B1

  公开（公告）日：2001-01-16

  Use in inhibiting plant growth of a compound of formula II in which either the pair of symbols X and Y or the pair of symbols Y and Z, together with the carbon atoms to which they are attached, form a non-aromatic ring system having either 5 or 7 ring atoms, all of which are carbon except that one may be oxygen, and which is substituted or unsubstituted, R1 represents a hydrogen atom or an alkyl, alkenyl or a substituted or unsubstituted phenyl group and R2 represents a hydrogen atom and R3 an alkyl carboxyalkyl group or R2 and R3 together form a double bond, and thereafter any unsatisfied valencies of ring carbon atoms of the ring shown in formula II are satisfied by hydrogen atoms.

  使用公式II中的化合物抑制植物生长，其中符号X和Y或符号Y和Z中的一对，与它们附着的碳原子一起，形成一个非芳香环系统，其具有5个或7个环原子，所有原子都是碳原子，除了一个可能是氧原子，并且被取代或未取代，R1代表氢原子或烷基，烯基或取代或未取代的苯基团，R2代表氢原子，R3代表烷基羧基烷基团或R2和R3共同形成双键，然后公式II中环的任何未满足的碳原子的价键都由氢原子满足。
• US6174840B1
  申请人：——

  公开号：US6174840B1

  公开（公告）日：2001-01-16
• Pauson–Khand Reactions in a Photochemical Flow Microreactor
  作者：Keisuke Asano、Yuki Uesugi、Jun-ichi Yoshida

  DOI：10.1021/ol4008519

  日期：2013.5.17

  Pauson-Khand reactions were achieved at ambient temperature without any additive using a photochemical flow microreactor. The efficiency of the reaction was better than that in a conventional batch reactor, and the reaction could be operated continuously for 1 h.
• Clements, Carol J.; Dumoulin, Denis; Hamilton, David R., Journal of Chemical Research, Miniprint, 1998, # 10, p. 2658 - 2677
  作者：Clements, Carol J.、Dumoulin, Denis、Hamilton, David R.、Hudecek, Milan、Kerr, William J.、et al.

  DOI：——

  日期：——