(4-methylpent-1-yl)triphenylphosphonium iodide | 117940-59-7

• 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: (4-methylpent-1-yl)triphenylphosphonium iodide
• 英文别名: isohexyltriphenylphosphonium iodide；4-Methylpentyl(triphenyl)phosphanium;iodide
• CAS: 117940-59-7
• 化学式: C₂₄H₂₈P*I
• 分子量: 474.365
• InChiKey: SQMHHEHAMGREAH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-methylpent-1-yl)triphenylphosphonium iodide 在 Wilkinson's catalyst 正丁基锂 、 超重氢 作用下， 以 苯 为溶剂， -78.0~25.0 ℃ 、98.66 kPa 条件下， 反应 10.0h， 生成 <5,6-3H2>-(+)-disparlure
  参考文献：
  名称：

  Tritium-labeled enantiomers of disparlure. Synthesis and in vitro metabolism

  摘要：

  DOI：

  10.1021/ja00184a035
• 作为产物：
  描述：

  4-methylpentyl 4-methylbenzenesulfonate 在 sodium iodide 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 40.0h， 生成 (4-methylpent-1-yl)triphenylphosphonium iodide
  参考文献：
  名称：

  Tritium-labeled enantiomers of disparlure. Synthesis and in vitro metabolism

  摘要：

  DOI：

  10.1021/ja00184a035

文献信息

• An improved synthesis of (20R,22R)-cholest-5-ene-3β,20,22-triol, an intermediate in steroid hormone formation and an activator of nuclear orphan receptor LXRα
  作者：Benfang Ruan、William K. Wilson、George J. Schroepfer

  DOI：10.1016/s0039-128x(98)00116-0

  日期：1999.6

  Asymmetric dihydroxylation of (20(22)E)-cholesta-5,20(22)-dien-3 beta-ol acetate (2a), prepared from pregnenolone, gave a 1:1 mixture (67% yield) of (20R,22R)-cholest-5-ene-3 beta,20,22-triol 3-acetate (3a) and its 20S,22S isomer 3b. Highly purified 3a and 3b were obtained by semipreparative silver ion high performance liquid chromatography. Saponification of 3a and 3b gave (20R,22R)-cholest-5-ene-3 beta,20,22-triol (4a) and its 20S,22S isomer 4b. This simple approach provided the natural isomer 4a more efficiently than previously described chemical or enzymatic syntheses. Full H-1 and C-13 nuclear magnetic resonance data were presented for triols 4a and 4b and their synthetic precursors. Side-chain conformations of 2a, its 20(22)Z isomer, 4a, and 4b were studied by molecular mechanics and nuclear Overhauser effect difference spectroscopy. (C) 1999 Elsevier Science Inc. All rights reserved.
• Tritium-labeled enantiomers of disparlure. Synthesis and in vitro metabolism
  作者：Glenn D. Prestwich、Steven M. Graham、Jing Wen Kuo、Richard G. Vogt

  DOI：10.1021/ja00184a035

  日期：1989.1