1-环丙基-3-(4-甲氧基苯基)-1-丙酮 | 87141-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-环丙基-3-(4-甲氧基苯基)-1-丙酮
• 英文名称: 1-Cyclopropyl-3-(4-methoxyphenyl)propan-1-one
• 英文别名: Cyclopropyl 2-(4-methoxyphenyl)ethyl ketone
• CAS: 87141-66-0
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: VBGMKIIMHWHHBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  1-环丙基-3-(4-甲氧基苯基)-1-丙酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以2.98 g的产率得到2-(4-Methoxyphenyl)ethyl cyclopropyl carbinol
  参考文献：
  名称：

  Amupitan, Joseph A.; Beddoes, Roy L.; Mills, Owen S., Journal of the Chemical Society. Perkin transactions I, 1983, # 4, p. 759 - 764

  摘要：

  DOI：
• 作为产物：
  描述：

  3-Cyclopropyl-2,2-bis-(4-methoxy-benzyl)-3-oxo-propionic acid ethyl ester 、 氢氧化钾 生成 1-环丙基-3-(4-甲氧基苯基)-1-丙酮
  参考文献：
  名称：

  AMUPITAN, J. A.;BEDDOES, R. L.;MILLS, O. S.;SUTHERIAND, J. K., J. CHEM. SOC. PERKIN TRANS., 1983, N 4, 759-763

  摘要：

  DOI：

文献信息

• Selectivity Control in Alkylidene Carbene-Mediated C−H Insertion and Allene Formation
  作者：Jun-Cheng Zheng、Sang Young Yun、Chunrui Sun、Nam-Kyu Lee、Daesung Lee

  DOI：10.1021/jo102180f

  日期：2011.2.18

  Regioselectivity of alkylidene carbene-mediated C-H insertion was explored utilizing electronic, conformational, steric, and stereoelectronic effects. Relying on these factors, highly regio- and chemoselective carbene insertion reaction of C-H bonds in different environments could be obtained. The observed selectivity clearly indicates that an electronic effect plays a more important role than steric effect. In general, C-H bonds in conformationally rigid cyclic environments are less reactive than those in acyclic systems toward carbene insertion, and in this situation, a competing intermolecular reaction between alkylidene carbene and trimethylsilyldiazomethane led to the formation of allenylsilanes. The formation of allenylsilane becomes more favorable as the concentration of reaction becomes higher, as well as the C-H bonds undergoing insertion becomes electronically and conformationally deactivated.
• AMUPITAN, J. A.;BEDDOES, R. L.;MILLS, O. S.;SUTHERIAND, J. K., J. CHEM. SOC. PERKIN TRANS., 1983, N 4, 759-763
  作者：AMUPITAN, J. A.、BEDDOES, R. L.、MILLS, O. S.、SUTHERIAND, J. K.

  DOI：——

  日期：——
• Amupitan, Joseph A.; Beddoes, Roy L.; Mills, Owen S., Journal of the Chemical Society. Perkin transactions I, 1983, # 4, p. 759 - 764
  作者：Amupitan, Joseph A.、Beddoes, Roy L.、Mills, Owen S.、Sutherland, James K.

  DOI：——

  日期：——