9-methoxy-7,13-dioxa-dibenzo[a,h]fluoren-12-one | 406214-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 9-methoxy-7,13-dioxa-dibenzo[a,h]fluoren-12-one
• 英文别名: 6-methoxy-3,12-dioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4(9),5,7,14,16,18,20-nonaen-10-one
• CAS: 406214-67-3
• 化学式: C₂₀H₁₂O₄
• 分子量: 316.313
• InChiKey: AOHPVZUXBUFRHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  48.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-methoxy-7,13-dioxa-dibenzo[a,h]fluoren-12-one 、 Pyr-HCl 在 甲醇 、 二氯甲烷 作用下， 以 水 为溶剂， 反应 1.0h， 以CH2Cl2 to yield 41 (0.17 g) as a white solid的产率得到9-hydroxy-7,13-dioxa-dibenzo[a,h]fluoren-12-one
  参考文献：
  名称：

  5,11-dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents

  摘要：

  本发明提供了一种具有结构式1的雌激素受体调节剂，其中X，Y1，Y2，Y3，Y4，Z1，Z2，Z3和Z4如规范中所定义，或其药学上可接受的盐。

  公开号：

  US20020183310A1
• 作为产物：
  描述：

  1-羟基-2-萘甲酸苯酯 、 2-溴-2’-氟-4’-甲氧基苯乙酮 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到9-methoxy-7,13-dioxa-dibenzo[a,h]fluoren-12-one
  参考文献：
  名称：

  A highly efficient, one-pot synthesis of benzo[b]fluoren-10-ones

  摘要：

  5,[1-Dioxa- and 5-oxa-1]-thiabenzo[b]fluoren-10-ones were prepared via a one-pot procedure initiated by the reaction of salicylates or thiasalicylates with ortho fluoro-alpha -bromoacetophenones in the presence of cesium carbonate. The reactions proceeded in good yield and the final products were obtained without chromatography. The reaction presumably proceeds via a sequential intermolecular alkylation, intramolecular acylation sequence concluded by an intramolecular, ipso-fluoro substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01828-7

文献信息

• 5,11-dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents
  申请人：Wyeth

  公开号：US20020183310A1

  公开（公告）日：2002-12-05

  This invention provides estrogen receptor modulators of formula 1, having the structure 1 wherein X, Y 1 , Y 2 , Y 3 , Y 4 , Z 1 , Z 2 , Z 3 , and Z 4 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  该发明提供了公式1的雌激素受体调节剂，其结构为1，其中X，Y1，Y2，Y3，Y4，Z1，Z2，Z3和Z4如规范中所定义，或其药学上可接受的盐。
• 5, 11-Dioxa-benzo[b]fluoren-10-one and 5-oxa-11-thia-benzo[b]fluoren-10-ones as estrogenic agents
  申请人：Wyeth

  公开号：US06559177B2

  公开（公告）日：2003-05-06

  This invention provides estrogen receptor modulators of formula 1, having the structure wherein X, Y1, Y2, Y3, Y4, Z1, Z2, Z3, and Z4 are as defined in the specification, or a pharmaceutically acceptable salt thereof.

  本发明提供了式1的雌激素受体调节剂，其结构为X、Y1、Y2、Y3、Y4、Z1、Z2、Z3和Z4如规范所定义，或其药学上可接受的盐。
• US6559177B2
  申请人：——

  公开号：US6559177B2

  公开（公告）日：2003-05-06
• A highly efficient, one-pot synthesis of benzo[b]fluoren-10-ones
  作者：Michael D. Collini、Chris P. Miller

  DOI：10.1016/s0040-4039(01)01828-7

  日期：2001.11

  5,[1-Dioxa- and 5-oxa-1]-thiabenzo[b]fluoren-10-ones were prepared via a one-pot procedure initiated by the reaction of salicylates or thiasalicylates with ortho fluoro-alpha -bromoacetophenones in the presence of cesium carbonate. The reactions proceeded in good yield and the final products were obtained without chromatography. The reaction presumably proceeds via a sequential intermolecular alkylation, intramolecular acylation sequence concluded by an intramolecular, ipso-fluoro substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.