(1R,1'S,2'R,3'S,5S)-methyl 5'-fluoro-3'-methoxy-2'-methyl-2',3'-dihydrospiro[bicyclo[3.2.1]octa[3,6]dien-2,1'-indene]-4-carboxylate | 1001020-02-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (1R,1'S,2'R,3'S,5S)-methyl 5'-fluoro-3'-methoxy-2'-methyl-2',3'-dihydrospiro[bicyclo[3.2.1]octa[3,6]dien-2,1'-indene]-4-carboxylate
• 英文别名: methyl (1S,1'S,2R,3S,5'R)-6-fluoro-1-methoxy-2-methylspiro[1,2-dihydroindene-3,4'-bicyclo[3.2.1]octa-2,6-diene]-2'-carboxylate
• CAS: 1001020-02-5
• 化学式: C₂₀H₂₁FO₃
• 分子量: 328.383
• InChiKey: VQRFUQBWZBYASP-KZVLCNHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1S,5R,6S)-methyl 6((E)-((2R,3S)-5-fluoro-3-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ylidene)methyl)bicyclo[3.1.0]hex-2-ene-6-carboxylate 以 氯苯 为溶剂， 反应 0.33h， 以91%的产率得到(1R,1'S,2'R,3'S,5S)-methyl 5'-fluoro-3'-methoxy-2'-methyl-2',3'-dihydrospiro[bicyclo[3.2.1]octa[3,6]dien-2,1'-indene]-4-carboxylate
  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.