(5R,6S,E)-methyl 7-(2-bromophenoxy)-6-ethoxy-5-methylhept-3-enoate | 1001019-91-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (5R,6S,E)-methyl 7-(2-bromophenoxy)-6-ethoxy-5-methylhept-3-enoate
• 英文别名: methyl (E,5R,6S)-7-(2-bromophenoxy)-6-ethoxy-5-methylhept-3-enoate
• CAS: 1001019-91-5
• 化学式: C₁₇H₂₃BrO₄
• 分子量: 371.271
• InChiKey: SYSAXULLEUFANX-WHHBIATBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-bromo-2-(2,2-diethoxyethoxy)benzene 、 (E)-(3R)-Methyl 3-(dimethylphenylsilyl)hex-4-enoate 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 生成 (5R,6S,E)-methyl 7-(2-bromophenoxy)-6-ethoxy-5-methylhept-3-enoate 、 (E)-methyl 7-(2-bromophenoxy)-6-methoxy-5-ethylhept-3-enoate
  参考文献：
  名称：

  Preparation of Alkylidene Indane and Related Scaffolds and Their Further Elaboration to Novel Chemotypes

  摘要：

  Alkylidene indane and ring-expanded scaffolds have been prepared using an enantioselective crotylation/Heck cyclization sequence. Further diversification using consecutive cyclopropanation-Cope rearrangement affords novel chemotypes including spiroindane frameworks.

  DOI：

  10.1021/ol7023778

文献信息

• Preparation of Alkylidene Indane and Related Scaffolds and Their Further Elaboration to Novel Chemotypes
  作者：Sarathy Kesavan、James S. Panek、John A. Porco

  DOI：10.1021/ol7023778

  日期：2007.12.1

  Alkylidene indane and ring-expanded scaffolds have been prepared using an enantioselective crotylation/Heck cyclization sequence. Further diversification using consecutive cyclopropanation-Cope rearrangement affords novel chemotypes including spiroindane frameworks.