(E)-4-ethyl-2-hexen-1,4-diol | 674368-09-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-4-ethyl-2-hexen-1,4-diol
• 英文别名: (E)-4-ethylhex-2-ene-1,4-diol
• CAS: 674368-09-3
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: QWQZUZBHNBOACG-AATRIKPKSA-N

物化性质

• 沸点：
  237.9±20.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-4-ethyl-2-hexen-1,4-diol 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 吡啶 、 1,1'-双(二苯基膦)二茂铁 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-Ethenyl-4,4-diethyl-1,3-dioxolan-2-one
  参考文献：
  名称：

  Palladium-Catalyzed Carbon Dioxide Elimination−Fixation Reaction of 4-Methoxycarbonyloxy-2-buten-1-ols

  摘要：

  A new type of palladium-catalyzed CO2 recycling reaction using allylic carbonates is described. Reaction of trans-4-methoxycarbonyloxy-2-buten-1-ols in the presence of a palladium catalyst produces cyclic carbonates having a vinyl group via a CO2 elimination-fixation process. A variety of allylic carbonates participate in the reaction giving cyclic carbonates with high efficiencies. Stereoselective construction of trans-cyclic carbonates is achieved by using nonsymmetric substrates. An enantiospecific reaction proceeds to give chiral cyclic carbonate when a chiral methyl-substituted substrate is subjected to the reaction conditions.

  DOI：

  10.1021/jo0353280
• 作为产物：
  描述：

  4-hydroxy-1,1-diethyl-2-butyn-1-ol 在 lithium aluminium tetrahydride 、 sodium methylate 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以66%的产率得到(E)-4-ethyl-2-hexen-1,4-diol
  参考文献：
  名称：

  Palladium-Catalyzed Carbon Dioxide Elimination−Fixation Reaction of 4-Methoxycarbonyloxy-2-buten-1-ols

  摘要：

  A new type of palladium-catalyzed CO2 recycling reaction using allylic carbonates is described. Reaction of trans-4-methoxycarbonyloxy-2-buten-1-ols in the presence of a palladium catalyst produces cyclic carbonates having a vinyl group via a CO2 elimination-fixation process. A variety of allylic carbonates participate in the reaction giving cyclic carbonates with high efficiencies. Stereoselective construction of trans-cyclic carbonates is achieved by using nonsymmetric substrates. An enantiospecific reaction proceeds to give chiral cyclic carbonate when a chiral methyl-substituted substrate is subjected to the reaction conditions.

  DOI：

  10.1021/jo0353280

文献信息

• Process for preparing antiosteoporotic agents
  申请人：Hoffman-La Roche Inc.

  公开号：US06255501B1

  公开（公告）日：2001-07-03

  Methods for preparing antiosteoportic agents are disclosed. Compounds useful in the methods are also disclosed.

  本发明公开了制备抗骨质疏松药剂的方法。同时，还公开了在该方法中有用的化合物。
• Process for preparing anti-osteoporotic agents
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1048661B1

  公开（公告）日：2005-11-30
• US3975381A
  申请人：——

  公开号：US3975381A

  公开（公告）日：1976-08-17
• US6255501B1
  申请人：——

  公开号：US6255501B1

  公开（公告）日：2001-07-03
• Palladium-Catalyzed Carbon Dioxide Elimination−Fixation Reaction of 4-Methoxycarbonyloxy-2-buten-1-ols
  作者：Masahiro Yoshida、Yusuke Ohsawa、Masataka Ihara

  DOI：10.1021/jo0353280

  日期：2004.3.1

  A new type of palladium-catalyzed CO2 recycling reaction using allylic carbonates is described. Reaction of trans-4-methoxycarbonyloxy-2-buten-1-ols in the presence of a palladium catalyst produces cyclic carbonates having a vinyl group via a CO2 elimination-fixation process. A variety of allylic carbonates participate in the reaction giving cyclic carbonates with high efficiencies. Stereoselective construction of trans-cyclic carbonates is achieved by using nonsymmetric substrates. An enantiospecific reaction proceeds to give chiral cyclic carbonate when a chiral methyl-substituted substrate is subjected to the reaction conditions.