4-[(4-isopropoxy-phenyl)-thioacetyl]-morpholine | 55784-02-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[(4-isopropoxy-phenyl)-thioacetyl]-morpholine
• 英文别名: 4-[2-(4-Isopropoxyphenyl)ethanethioyl]morpholine；1-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)ethanethione
• CAS: 55784-02-6
• 化学式: C₁₅H₂₁NO₂S
• 分子量: 279.403
• InChiKey: MCIZGAOHEXSJER-UHFFFAOYSA-N

物化性质

• 熔点：
  85-90 °C
• 沸点：
  408.7±55.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[(4-isopropoxy-phenyl)-thioacetyl]-morpholine 在 四丁基溴化铵 、 水 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 以2.33 g的产率得到(4-异丙氧基苯基)乙酸
  参考文献：
  名称：

  Total Synthesis of (±)-Armepavines and (±)-Nuciferines From (2-Nitroethenyl)benzene Derivatives

  摘要：

  A concise route to armepavine 1 and nuciferine 2 and 3, which can be isolated from the leaves of Nelumbo nucifera (Nymphaceae), has been achieved in which the longest linear sequence is only six steps from commercially available benzaldehyde in 28%, 21%, and 20% overall yield, respectively. The key transformations in the synthesis are the radical cyclization of aryl bromide with Bu3SnH and the Pictet-Spengler reaction of N-substituted amine with aldehyde.

  DOI：

  10.1080/00397910903435411
• 作为产物：
  描述：

  1-(4-异丙氧基苯基)乙酮 以72%的产率得到
  参考文献：
  名称：

  MNDZHOYAN O. L.; PAXLEVANYAN M. Z.; MELKONYAN D. A.; GERASIMYAN D. A., ARM. XIM. ZH. , 1974, 27, HO 12, 1051-1055

  摘要：

  DOI：

文献信息

• Total Synthesis of (±)-Armepavines and (±)-Nuciferines From (2-Nitroethenyl)benzene Derivatives
  作者：Chia-Fu Chang、Chu-Yun Huang、Yu-Chao Huang、Kuan-Yu Lin、Yean-Jang Lee、Chau-Jong Wang

  DOI：10.1080/00397910903435411

  日期：2010.11.3

  A concise route to armepavine 1 and nuciferine 2 and 3, which can be isolated from the leaves of Nelumbo nucifera (Nymphaceae), has been achieved in which the longest linear sequence is only six steps from commercially available benzaldehyde in 28%, 21%, and 20% overall yield, respectively. The key transformations in the synthesis are the radical cyclization of aryl bromide with Bu3SnH and the Pictet-Spengler reaction of N-substituted amine with aldehyde.
• MNDZHOYAN O. L.; PAXLEVANYAN M. Z.; MELKONYAN D. A.; GERASIMYAN D. A., ARM. XIM. ZH. <AUKZ-AN>, 1974, 27, HO 12, 1051-1055
  作者：MNDZHOYAN O. L.、 PAXLEVANYAN M. Z.、 MELKONYAN D. A.、 GERASIMYAN D. A.

  DOI：——

  日期：——