1-(4-Hydroxy-phenoxy)-3-(triphenyl-λ⁵-phosphanylidene)-propan-2-one | 187879-24-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-Hydroxy-phenoxy)-3-(triphenyl-λ⁵-phosphanylidene)-propan-2-one
• 英文别名: 1-(4-Hydroxyphenoxy)-3-(triphenyl-lambda5-phosphanylidene)propan-2-one；1-(4-hydroxyphenoxy)-3-(triphenyl-λ5-phosphanylidene)propan-2-one
• CAS: 187879-24-9
• 化学式: C₂₇H₂₃O₃P
• 分子量: 426.452
• InChiKey: NVJUREXOOHKCEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Hydroxy-phenoxy)-3-(triphenyl-λ⁵-phosphanylidene)-propan-2-one 在 盐酸 、 铁粉 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 10.0h， 生成 4-(2-喹啉基甲氧基)苯酚
  参考文献：
  名称：

  Approaches to p-hydroxyphenoxymethylquinolines which avoid intermediate chloromethylquinolines for the synthesis of the LTD4 antagonist, RG 12525

  摘要：

  As part of an effort to develop an industrial synthesis of the LTD(4) antagonist RG 12525 (1), several approaches to the intermediate (2-quinolinylmethoxy)phenol 3 were investigated that avoided the generation of the lachrymatory sensitizer alpha-chloro-2-methylquinoline 2. Utilization of a cyclic sulfate in place of alpha,alpha'-dichloro-o-xylene 4 showed promise as a selective dialkylating agent in the conversion of 3 to RG 12525 (1). (C) 1997, Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(96)02361-1
• 作为产物：
  描述：

  3-Bromo-2-oxopropylidenetriphenylphosphorane 、 对苯二酚 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 1-(4-Hydroxy-phenoxy)-3-(triphenyl-λ⁵-phosphanylidene)-propan-2-one
  参考文献：
  名称：

  Approaches to p-hydroxyphenoxymethylquinolines which avoid intermediate chloromethylquinolines for the synthesis of the LTD4 antagonist, RG 12525

  摘要：

  As part of an effort to develop an industrial synthesis of the LTD(4) antagonist RG 12525 (1), several approaches to the intermediate (2-quinolinylmethoxy)phenol 3 were investigated that avoided the generation of the lachrymatory sensitizer alpha-chloro-2-methylquinoline 2. Utilization of a cyclic sulfate in place of alpha,alpha'-dichloro-o-xylene 4 showed promise as a selective dialkylating agent in the conversion of 3 to RG 12525 (1). (C) 1997, Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(96)02361-1