4-(Benzenesulfinyl)-3-methyl-5-(2,3,3-trimethylcyclohexen-1-yl)pent-1-en-3-ol | 242485-40-1

• 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-(Benzenesulfinyl)-3-methyl-5-(2,3,3-trimethylcyclohexen-1-yl)pent-1-en-3-ol
• CAS: 242485-40-1
• 化学式: C₂₁H₃₀O₂S
• 分子量: 346.534
• InChiKey: PRPLGTNAXRTQAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(Benzenesulfinyl)-3-methyl-5-(2,3,3-trimethylcyclohexen-1-yl)pent-1-en-3-ol 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以83%的产率得到iso-vinyl-β-ionol
  参考文献：
  名称：

  New Retinoid Analogs from δ-Pyronene, a Natural Synthon

  摘要：

  delta-Pyronene (1), a readily available terpenic synthon, is an excellent raw material for the preparation of numerous terpenic intermediates. Original retinoid analogs such as "iso"-retinyl acetate (5), "iso"-retinal (6) and ethyl "iso"-retinoate (7), in which the cyclogeranyl moiety is functionalized in an unusual position, were prepared from delta-pyronene.

  DOI：

  10.1002/(sici)1099-0690(199906)1999:6<1489::aid-ejoc1489>3.0.co;2-1
• 作为产物：
  描述：

  3-Hydroxy-3-methyl-4-phenylmercapto-buten 在 sodium periodate 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 水 、 叔丁醇 为溶剂， 反应 30.25h， 生成 4-(Benzenesulfinyl)-3-methyl-5-(2,3,3-trimethylcyclohexen-1-yl)pent-1-en-3-ol
  参考文献：
  名称：

  New Retinoid Analogs from δ-Pyronene, a Natural Synthon

  摘要：

  delta-Pyronene (1), a readily available terpenic synthon, is an excellent raw material for the preparation of numerous terpenic intermediates. Original retinoid analogs such as "iso"-retinyl acetate (5), "iso"-retinal (6) and ethyl "iso"-retinoate (7), in which the cyclogeranyl moiety is functionalized in an unusual position, were prepared from delta-pyronene.

  DOI：

  10.1002/(sici)1099-0690(199906)1999:6<1489::aid-ejoc1489>3.0.co;2-1

文献信息

• Synthèse de nouveaux intermédiaires d'analogues rétinoı̈des à partir du δ-pyronène
  作者：F Lambertin、M Taran、B Delmond

  DOI：10.1016/s0040-4020(02)00752-4

  日期：2002.8
• New Retinoid Analogs from δ-Pyronene, a Natural Synthon
  作者：Frédéric Lambertin、Martin Wende、Marie Jeanne Quirin、Martine Taran、Bernard Delmond

  DOI：10.1002/(sici)1099-0690(199906)1999:6<1489::aid-ejoc1489>3.0.co;2-1

  日期：1999.6

  delta-Pyronene (1), a readily available terpenic synthon, is an excellent raw material for the preparation of numerous terpenic intermediates. Original retinoid analogs such as "iso"-retinyl acetate (5), "iso"-retinal (6) and ethyl "iso"-retinoate (7), in which the cyclogeranyl moiety is functionalized in an unusual position, were prepared from delta-pyronene.