(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-7-(1,3-dioxoisoindolin-2-yl)-4a-hydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl acetate | 160359-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-7-(1,3-dioxoisoindolin-2-yl)-4a-hydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl acetate
• CAS: 160359-60-4
• 化学式: C₃₀H₃₀N₂O₆
• 分子量: 514.578
• InChiKey: BLNQTYTXFMNVBX-ZTYFZONFSA-N

物化性质

• 沸点：
  689.1±55.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  38.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.38
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-7-(1,3-dioxoisoindolin-2-yl)-4a-hydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl acetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 以61%的产率得到(5alpha,6beta)-6-氨基-17-(环丙基甲基)-4,5-环氧-吗喃-3,14-二醇
  参考文献：
  名称：

  Stereoselective synthesis of β-naltrexol, β-naloxol β-naloxamine, β-naltrexamine and related compounds by the application of the mitsunobu reac

  摘要：

  As a continuation of our work, aimed at adopting the Mitsunobu reaction in the morphine series, a few representatives of dihydroisocodeines and dihydroisomorphines and their 14 beta-hydroxy analogues were prepared. p-Nitrobenzoic acid was used as carboxylic acid and the prepared esters were cleaved to obtain the title compounds. Using phthalimide as acidic component several new 6 beta-phthalimidodihydromorphine and dihydrocodeine derivatives and their 14 beta-hydroxy analogues have been synthesized. Cleavage of the phthalimido derivatives with hydrazine hydrate afforded the corresponding 6 beta-amino derivatives.

  DOI：

  10.1016/s0040-4020(01)85541-1
• 作为产物：
  描述：

  3-acetoxy-6α,14-dihydroxy-17-(cyclopropylmethyl)-4,5α-epoxymorphinan 以33的产率得到(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-7-(1,3-dioxoisoindolin-2-yl)-4a-hydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl acetate
  参考文献：
  名称：

  Tetrahedron 1994, 50, 9757-9768

  摘要：

  DOI：