trans-5-Benzyl-3-oxa-5-azabicyclo<4.4.0>decane | 92597-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: trans-5-Benzyl-3-oxa-5-azabicyclo<4.4.0>decane
• 英文别名: (4aR,8aR)-1-benzyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]oxazine
• CAS: 92597-09-6；92597-11-0
• 化学式: C₁₅H₂₁NO
• 分子量: 231.338
• InChiKey: RAQYQBZQTZRGBV-LSDHHAIUSA-N

物化性质

• 沸点：
  331.8±25.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(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：
  0.6
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (+/-)-N-benzoyl-trans-2-aminocyclohexane-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 生成 trans-5-Benzyl-3-oxa-5-azabicyclo<4.4.0>decane
  参考文献：
  名称：

  Stereochemical studies—76 saturated heterocycles—63

  摘要：

  DOI：

  10.1016/s0040-4020(01)88446-5

文献信息

• Chemo- and Diastereoselective Reduction of .beta.-Enamino Esters: A Convenient Synthesis of Both cis- and trans-.gamma.-Amino Alcohols and .beta.-Amino Esters
  作者：Giuseppe Bartoli、Cristina Cimarelli、Enrico Marcantoni、Gianni Palmieri、Marino Petrini

  DOI：10.1021/jo00097a039

  日期：1994.9

  Convenient procedures for the chemo- and diastereoselective reduction of beta-enamino esters 1 are described. Both cis- and trans-gamma-amino alcohols 2 or beta-amino esters 3 can be prepared by reduction of beta-enamino esters 1, readily available starting materials, with the use of inexpensive reagents Nali-PrOH or NaHbB(OAc)(3)/AcOH, respectively, and the appropriate reduction conditions. The mechanisms and diastereoselectivities for the reductions are discussed. The relative configurations and conformations of the diastereoisomeric gamma-amino alcohols 2 and beta-amino esters 3 obtained are established by H-1 and C-13 NMR study and unequivocally set by their cyclic derivatives tetrahydro-1,3-oxazines 4.
• FUELOEP, F.;BERNATH, G.;ARGAY, G.;KALMAN, A.;SOHAR, P., MAGY. KEM. FOLY OIRAT, 1984, 90, N 11, 510-514
  作者：FUELOEP, F.、BERNATH, G.、ARGAY, G.、KALMAN, A.、SOHAR, P.

  DOI：——

  日期：——
• Stereochemical studies—76 saturated heterocycles—63
  作者：Ferenc Folöp、Gábor Bernáth、Gyula Argay、Alajos Kálmán、Pál Sohár

  DOI：10.1016/s0040-4020(01)88446-5

  日期：1984.1