2-[1-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-meth-(E)-ylidene]-3-methyl-butan-1-ol | 387356-95-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: 2-[1-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-meth-(E)-ylidene]-3-methyl-butan-1-ol
• 英文别名: 2-[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-(E)-methylidene]-3-methylbutan-1-ol；2-[1-[4-Methoxy-3-(3-methoxypropoxy)phenyl]meth-(e)-ylidene]-3-methylbutan-1-ol；(2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methylbutan-1-ol
• CAS: 387356-95-8
• 化学式: C₁₇H₂₆O₄
• 分子量: 294.391
• InChiKey: OIMWRUWVGHUUKZ-GDNBJRDFSA-N

物化性质

• 沸点：
  431.0±40.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[1-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-meth-(E)-ylidene]-3-methyl-butan-1-ol 在 氢气 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、5.0 MPa 条件下， 反应 16.0h， 生成 (R)-2-[3-(3-甲氧基丙氧基)-4-甲氧基苄基]-3-甲基丁-1-醇 、 (S)-2-(3-(3-methoxypropoxy)-4-methoxybenzyl)-3-methylbutan-1-ol
  参考文献：
  名称：

  WO2008/77917

  摘要：

  公开号：
• 作为产物：
  描述：

  3-[4-methoxy-3-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol 、 异丙基氯化镁 在 copper(l) iodide 水 、 氯化铵 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 3.5h， 生成 2-[1-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]-meth-(E)-ylidene]-3-methyl-butan-1-ol
  参考文献：
  名称：

  WO2008/55941

  摘要：

  公开号：

文献信息

• Process for Preparing organic compounds
  申请人：Herold Peter

  公开号：US20090105503A1

  公开（公告）日：2009-04-23

  Process for preparing a compound of the formula (I) in which R 1 and R 2 are each independently H, C 1 -C 8 -alkyl, halogen, polyhalo-C 1 -C 8 -alkoxy, polyhalo-C 1 -C 8 -alkyl, C 1 -C 8 -alkoxy, C 1 -C 8 -alkoxy-C 1 -C 8 -alkyl, or C 1 -C 8 -alkoxy-C 1 -C 8 -alkoxy, where R 1 and R 2 are not both H, and R 3 is C 1 -C 8 -alkyl, which is characterized in that a) a compound of the formula (II) in which R 1 and R 2 are each as defined above and X is Br, I, triflate, toyslate or mesylate is reacted with prop-2-yn-1-ol to give the compound of the formula (III), b) the compound of the formula (III) is reacted with an alkyl-metal compound in which “alkyl” is as defined above for R 3 to give a compound of the formula (I).

  制备式(I)化合物的过程，其中R1和R2各自独立地为H、C1-C8烷基、卤素、多卤素C1-C8烷氧基、多卤素C1-C8烷基、C1-C8烷氧基、C1-C8烷氧基-C1-C8烷基或C1-C8烷氧基-C1-C8烷氧基，其中R1和R2不能同时为H，而R3为C1-C8烷基，其特征在于a)将式(II)化合物与丙-2-炔-1-醇反应，其中R1和R2如上所定义，X为Br、I、三氟甲磺酸盐、对甲苯磺酸盐或甲磺酸盐，从而得到式(III)化合物，b)将式(III)化合物与一种“烷基”定义如上所定义的烷基金属化合物反应，从而得到式(I)化合物。
• PREPARATION OF A SATURATED ALDEHYDE
  申请人：Verzijl Gerardus Karel Maria

  公开号：US20100197972A1

  公开（公告）日：2010-08-05

  The invention relates to a compound according to Formula (IX) and salts thereof, wherein R 1 , R 2 and R 5 are each independently selected from H and hydrocarbon moieties, which hydrocarbon moieties optionally comprise one or more heteroatoms, and which hydrocarbons optionally comprise substituents, or when the compound according to formula (IX) is a salt, R 1 and/or R 2 may be a cation, R 3 , and R 4 each independently selected from hydrocarbon moieties, which hydrocarbon moieties optionally comprise one or more heteroatoms, and which hydrocarbons optionally comprise substituents, and wherein any two of R 1 , R 2 , R 3 , R 4 and R 5 are optionally linked together to form a ring structure. The invention further relates to the preparation of such a compound and to the use of such a compound for preparing a pharmaceutical compound, an agrochemical compound, an intermediate for a pharmaceutical compound or an intermediate for an agrochemical compound.

  本发明涉及一种符合式（IX）及其盐的化合物，其中R1、R2和R5各自独立地选择H和烃基，该烃基可以选择包含一个或多个杂原子，并且这些烃基可以包含取代基，或者当符合式（IX）的化合物是盐时，R1和/或R2可以是阳离子，R3和R4各自独立地选择烃基，该烃基可以选择包含一个或多个杂原子，并且这些烃基可以包含取代基，其中任何两个R1、R2、R3、R4和R5可以选择连接在一起形成环结构。本发明还涉及制备这种化合物以及使用这种化合物制备药物化合物、农药化合物、药物化合物中间体或农药化合物中间体。
• Process for preparing organic compounds
  申请人：Novartis AG

  公开号：US07723550B2

  公开（公告）日：2010-05-25

  Process for preparing a compound of the formula (I) in which R1 and R2 are each independently H, C1-C8-alkyl, halogen, polyhalo-C1-C8-alkoxy, polyhalo-C1-C8-alkyl, C1-C8-alkoxy, C1-C8-alkoxy-C1-C8-alkyl, or C1-C8-alkoxy-C1-C8-alkoxy, where R1 and R2 are not both H, and R3 is C1-C8-alkyl, which is characterized in that a) a compound of the formula (II) in which R1 and R2 are each as defined above and X is Br, I, triflate, toyslate or mesylate is reacted with prop-2-yn-1-ol to give the compound of the formula (III), b) the compound of the formula (III) is reacted with an alkyl-metal compound in which “alkyl” is as defined above for R3 to give a compound of the formula (I).

  制备式(I)化合物的过程，其中R1和R2各自独立地为H，C1-C8-烷基，卤素，多卤代C1-C8-烷氧基，多卤代C1-C8-烷基，C1-C8-烷氧基，C1-C8-烷氧基-C1-C8-烷基，或C1-C8-烷氧基-C1-C8-烷氧基，其中R1和R2不同时为H，且R3为C1-C8-烷基。该过程的特点在于：a)反应式(II)中R1和R2的定义如上所述，X为Br、I、三氟甲磺酸盐、对甲苯磺酸盐或甲磺酸盐的化合物与2-丙烯-1-醇反应，得到式(III)的化合物；b)式(III)的化合物与R3的定义如上所述的烷基金属化合物反应，得到式(I)的化合物。
• PROCESS FOR PREPARING OF 2-ALKYL 3-ARYL PROP-2-2ENE-1-OLS
  申请人：Speedel Experimenta AG

  公开号：EP1943205A1

  公开（公告）日：2008-07-16
• PROCESS FOR PREPARING OF 2-ALKYL-3-ARYL-PROP-2 ENE-1-OLS
  申请人：Novartis AG

  公开号：EP1943205B1

  公开（公告）日：2010-01-20