[6-[2-[2,4-di(propan-2-yloxy)phenyl]acetyl]-2,2-dimethylchromen-5-yl] N,N-diethylcarbamate | 238737-00-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: [6-[2-[2,4-di(propan-2-yloxy)phenyl]acetyl]-2,2-dimethylchromen-5-yl] N,N-diethylcarbamate
• CAS: 238737-00-3
• 化学式: C₃₀H₃₉NO₆
• 分子量: 509.643
• InChiKey: RNLLUUGNWASSHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [6-[2-[2,4-di(propan-2-yloxy)phenyl]acetyl]-2,2-dimethylchromen-5-yl] N,N-diethylcarbamate 在 三氯化硼 、 sodium hydride 、 对甲苯磺酸 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 9.0h， 生成 plicadin
  参考文献：
  名称：

  Directed Metalation Linked to Transition Metal Catalyzed Cascade Reactions: Two Total Syntheses of Plicadin, the Alleged Coumestan fromPsoralea plicata

  摘要：

  The oxygen-rich heterocyclic compound 1-which was proposed to be the structure of plicadin, the alleged naturally occurring coumestan from the herb Psoralea plicata-was synthesized by the rational combinations of directed ortho and remote metalation reactions with cascades of Negishi, Sonogashira, Castro-Stephens, and carbamoyl Baker-Venkataraman reactions.

  DOI：

  10.1002/(sici)1521-3773(19990517)38:10<1435::aid-anie1435>3.0.co;2-b
• 作为产物：
  描述：

  1,3-Bis(N,N-diethylcarbamoyl)benzene 在 叔丁基锂 、 仲丁基锂 、 zinc(II) chloride 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 6.25h， 生成 [6-[2-[2,4-di(propan-2-yloxy)phenyl]acetyl]-2,2-dimethylchromen-5-yl] N,N-diethylcarbamate
  参考文献：
  名称：

  Directed Metalation Linked to Transition Metal Catalyzed Cascade Reactions: Two Total Syntheses of Plicadin, the Alleged Coumestan fromPsoralea plicata

  摘要：

  The oxygen-rich heterocyclic compound 1-which was proposed to be the structure of plicadin, the alleged naturally occurring coumestan from the herb Psoralea plicata-was synthesized by the rational combinations of directed ortho and remote metalation reactions with cascades of Negishi, Sonogashira, Castro-Stephens, and carbamoyl Baker-Venkataraman reactions.

  DOI：

  10.1002/(sici)1521-3773(19990517)38:10<1435::aid-anie1435>3.0.co;2-b