4-(5-羟基-4,8-二甲基-7-壬烯基)-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸 | 67441-54-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 4-(5-羟基-4,8-二甲基-7-壬烯基)-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸
• 英文名称: 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid
• 英文别名: 4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid；RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid；(1RS,4SR,5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1] octane-1-acetic acid；3,8-Dioxabicyclo(3.2.1)octane-1-acetic acid, 4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-；2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
• CAS: 67441-54-7
• 化学式: C₂₀H₃₄O₅
• 分子量: 354.487
• InChiKey: WOPYURXQWMHYFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(5-羟基-4,8-二甲基-7-壬烯基)-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸 、 L-赖氨酸 生成 (2S)-2,6-diaminohexanoic acid;2-[4-(5-hydroxy-4,8-dimethylnon-7-enyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
  参考文献：
  名称：

  MORITA, JOSIMI;SIRASAKA, MASASI

  摘要：

  DOI：
• 作为产物：
  描述：

  RS-4-(5-acetoxy-4,8-dimethyl-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid 生成 4-(5-羟基-4,8-二甲基-7-壬烯基)-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸
  参考文献：
  名称：

  Total synthesis of

  摘要：

  本文描述了合成1RS，4SR，5RS-4-（4,8-二甲基-5-羟基-7-壬烯-1-基）-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸的方法。这种双环乙酸化合物可用作子宫清宫剂。

  公开号：

  US04277401A1

文献信息

• Total synthesis of (1RS, 4SR,
  申请人：Ortho Pharmaceutical Corporation

  公开号：US04215048A1

  公开（公告）日：1980-07-29

  A method for the total synthesis of (1RS,4SR,5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyc lo[3.2.1]octane-1-acetic acid is described. The compound is active as a utero-evacuant agent.

  描述了一种(1RS,4SR,5RS)-4-(4,8-二甲基-5-羟基-7-壬烯基)-4-甲基-3,8-二氧杂双环[3.2.1]辛烷-1-乙酸的全合成方法。该化合物作为子宫排空剂具有活性。
• Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and intermediates
  申请人：ORTHO PHARMACEUTICAL CORPORATION

  公开号：EP0021775A1

  公开（公告）日：1981-01-07

  A method of synthesizing -1RS,4SR,5RS-4-(4,8 -dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo [3.2.1]octane-1-acetic acid. The acid is a derivative of the natural product zoapatanol, one of the active ingredients in the zoapatle plant, and is active as a utero-evacuant agent.

  一种合成-1RS,4SR,5RS-4-(4,8-二甲基-5-羟基-7-壬烯-1-基)-4-甲基-3,8-二氧杂环[3.2.1]辛烷-1-乙酸的方法。 该酸是天然产品zoapatanol的衍生物，zoapatanol是zoapatle植物中的活性成分之一，具有子宫缓释剂的活性。
• Total synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and related compounds
  申请人：ORTHO PHARMACEUTICAL CORPORATION

  公开号：EP0039595A1

  公开（公告）日：1981-11-11

  The synthesis of 1RS, 4SR, 5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid and related compounds is described and their pharmacological activities are described.

  描述了 1RS、4SR、5RS-4-(4,8-二甲基-5-羟基-7-壬烯-1-基)-4-甲基-3,8-二氧杂环[3.2.1]辛烷-1-乙酸和相关化合物的合成及其药理活性。 及其相关化合物，并介绍了它们的药理活性。
• Synthesis of dioxabicyclo(3.2.1)octanes and oxepanes
  申请人：——

  公开号：EP0045631A3

  公开（公告）日：1983-07-06

  The synthesis of C-4 alkyl analogs of racemic (1 RS,4SR,5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid and the corresponding (1RS,4RS,5RS)- derivative is described. The dioxabicyclo[3.2.1]octanes are useful as contragestational agents. The intermediate oxepane analogs are useful as intermediates in the preparation of the contragestational agent zoapatanol.

  介绍了外消旋(1RS,4SR,5RS)-4-(4,8-二甲基-5-羟基-7-壬烯基)-4-甲基-3,8-二氧杂环[3.2.1]辛烷-1-乙酸的 C-4 烷基类似物和相应的(1RS,4RS,5RS)-衍生物的合成。二氧杂环[3.2.1]辛烷可用作避孕药。中间体氧杂环庚烷类似物可用作制备避孕药佐帕他醇的中间体。
• Total synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid
  申请人：——

  公开号：EP0046679A3

  公开（公告）日：1982-08-11

  The synthesis of 1RS,4RS,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]-octane-1-acetic acid, is described. The bicyclo acetic acid compound is useful as a uteroevacuant agent.

  描述了 1RS,4RS,5RS-4-(4,8-二甲基-5-羟基-7-壬烯-1-基)-4-甲基-3,8-二氧杂环[3.2.1]辛烷-1-乙酸的合成。 这种双环乙酸化合物可用作子宫活化剂。