3,4,5,6-tetrahydro-8-methoxy-2H-benzo[b][1,4]-oxazocine-3,5-dione | 1190094-14-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,4,5,6-tetrahydro-8-methoxy-2H-benzo[b][1,4]-oxazocine-3,5-dione
• 英文别名: 8-methoxy-6H-1,6-benzoxazocine-3,5-dione
• CAS: 1190094-14-4
• 化学式: C₁₁H₁₁NO₄
• 分子量: 221.213
• InChiKey: IJTOJBAUNAENOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-methoxyphenoxyacetyl-cyanomethylenetriphenylphosphorane 在 水 作用下， 以 sodium phosphate buffer 为溶剂， 以70%的产率得到3,4,5,6-tetrahydro-8-methoxy-2H-benzo[b][1,4]-oxazocine-3,5-dione
  参考文献：
  名称：

  A chemoenzymatic synthesis of 3,4,5,6-tetrahydro-2H-benzo[b][1,4]-oxazocine-3,5-dione and its derivatives

  摘要：

  The enzymatic cyclization of phenoxyacetylcyanomethylenetriphenylphosphorane derivatives using pretreated baker's yeast cells, a rapid one-pot assembly of heteromacrocyclic compounds, is described.

  DOI：

  10.1007/s00706-008-0101-7

文献信息

• A chemoenzymatic synthesis of 3,4,5,6-tetrahydro-2H-benzo[b][1,4]-oxazocine-3,5-dione and its derivatives
  作者：Ch. Sree Lakshmi、H. Rehaman、Adari Bhaskar Rao

  DOI：10.1007/s00706-008-0101-7

  日期：2009.6

  The enzymatic cyclization of phenoxyacetylcyanomethylenetriphenylphosphorane derivatives using pretreated baker's yeast cells, a rapid one-pot assembly of heteromacrocyclic compounds, is described.