1-<4-Fluor-phenyl>-2-methyl-propandiol-(1,2) | 17951-26-7

• 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: 1-<4-Fluor-phenyl>-2-methyl-propandiol-(1,2)
• 英文别名: 1-(4-Fluor-phenyl)-2-methyl-propandiol-(1,2)；1-(4-Fluorophenyl)-2-methylpropane-1,2-diol
• CAS: 17951-26-7
• 化学式: C₁₀H₁₃FO₂
• 分子量: 184.21
• InChiKey: VDOXGIQUTWZWFT-UHFFFAOYSA-N

物化性质

• 熔点：
  58 °C
• 沸点：
  301.7±27.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-<4-Fluor-phenyl>-2-methyl-propandiol-(1,2) 生成 1-(对氟苯基)-2-羟基-2-甲基-1-丙酮
  参考文献：
  名称：

  [EN] PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES
  [FR] PREPARATION D'ALPHA-HYDROXYCETONES

  摘要：

  公开号：

  WO2006005682A3
• 作为产物：
  描述：

  3-(4-Fluorophenyl)-2,2-dimethyloxirane 生成 1-<4-Fluor-phenyl>-2-methyl-propandiol-(1,2)
  参考文献：
  名称：

  [EN] PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES
  [FR] PREPARATION D'ALPHA-HYDROXYCETONES

  摘要：

  公开号：

  WO2006005682A3

文献信息

• PREPARATION OF ALPHA-HYDROXY AND ALPHA-AMINO KETONES
  申请人：End Nicole

  公开号：US20090018354A1

  公开（公告）日：2009-01-15

  A process for the preparation of an 1,1-disubstituted oxirane is disclosed, wherein an organic sulphide is reacted in a polar solvent with an educt containing a leaving group attached to a primary or secondary carbon atom, and/or the sulfonium salt formed in this way is reacted with a ketone in presence of a base and a polar solvent. Oxiranes of the type obtained may be further converted into the corresponding α-hydroxyketone or α-aminoketone, either in one step by subjecting to aerobic oxidation in the presence of a transition metal catalyst, or in two steps by hydrolyzation in the presence of an aqueous acid to the corresponding dialcohol and subsequent selective oxidation. Further described are some novel epoxide intermediates. The α-hydroxyketones and α-aminoketones thus obtainable are useful inter alga as photoinitiators.

  公开了一种制备1,1-二取代环氧烷的方法，其中有机硫化物在极性溶剂中与含有连接到一级或二级碳原子的离去基团的底物反应，和/或以碱和极性溶剂存在下，以这种方式形成的磺鎓盐与酮反应。所获得的这种类型的环氧烷可以进一步转化为相应的α-羟基酮或α-氨基酮，通过在过渡金属催化剂存在下进行的氧化反应一步完成，或通过在水酸性存在下的水解反应和随后的选择性氧化反应两步完成。还描述了一些新型环氧中间体。因此获得的α-羟基酮和α-氨基酮可作为光引发剂等用途。
• PREPARATION OF ALPHA-HYDROXYKETONES
  申请人：END NICOLE

  公开号：US20120289721A1

  公开（公告）日：2012-11-15

  A process for the preparation of an 1,1-disubstituted oxirane is disclosed, wherein an organic sulphide is reacted in a polar solvent with an educt containing a leaving group attached to a primary or secondary carbon atom, and/or the sulfonium salt formed in this way is reacted with a ketone in presence of a base and a polar solvent. Oxiranes of the type obtained may be further converted into the corresponding α-hydroxyketone or α-aminoketone, either in one step by subjecting to aerobic oxidation in the presence of a transition metal catalyst, or in two steps by hydrolyzation in the presence of an aqueous acid to the corresponding dialcohol and subsequent selective oxidation. Further described are some novel epoxide intermediates. The α-hydroxyketones and α-aminoketones thus obtainable are useful inter alia as photoinitiators.

  本发明公开了一种制备1,1-二取代环氧烷的方法，其中有机硫化物在极性溶剂中与含有一个离去基团连接到一级或二级碳原子的底物反应，和/或以碱和极性溶剂存在下，以这种方式形成的磺鎓盐与酮反应。所获得的类型的环氧烷可以进一步转化为相应的α-羟基酮或α-氨基酮，可以通过在过渡金属催化剂存在下进行空气氧化一步完成，也可以通过在水酸存在下水解为相应的二元醇并进行选择性氧化两步完成。还描述了一些新的环氧中间体。因此获得的α-羟基酮和α-氨基酮可用作光引发剂等。
• Preparation of alpha-aminoketones
  申请人：Ciba Holding Inc.

  公开号：EP1930313A2

  公开（公告）日：2008-06-11

  A process for the preparation of an 1,1-disubstituted oxirane is disclosed, wherein an organic sulphide is reacted in a polar solvent with an educt containing a leaving group attached to a primary or secondary carbon atom, and/or the sulfonium salt formed in this way is reacted with a ketone in presence of a base and a polar solvent. Oxiranes of the type obtained may be further converted into the corresponding α-hydroxyketone or α-aminoketone, either in one step by subjecting to aerobic oxidation in the presence of a transition metal catalyst, or in two steps by hydrolyzation in the presence of an aqueous acid to the corresponding dialcohol and subsequent selective oxidation. Further described are some novel epoxide intermediates. The α-hydroxyketones and α-aminoketones thus obtainable are useful inter alia as photoinitiators.

  本发明公开了一种 1,1-二取代环氧乙烷的制备方法，其中有机硫化物在极性溶剂中 与含有连接到一级或二级碳原子上的离去基团的萃取物反应，和/或以此方法形成的锍盐 在碱和极性溶剂存在下与酮反应。得到的这类环氧乙烷可以进一步转化为相应的 α-羟基酮或α-氨基酮，可以在过渡金属催化剂存在下一步进行有氧氧化，也可以在水性酸存在下分两步水解为相应的二醇，然后进行选择性氧化。此外，还介绍了一些新型环氧化物中间体。 由此获得的 α-羟基酮和α-氨基酮可用作光引发剂。
• Preparation of alpha-hydroxy ketones
  申请人：Ciba Holding Inc.

  公开号：EP1813608B1

  公开（公告）日：2009-07-29
• Preparation of alpha-hydroxyketones
  申请人：BASF SE

  公开号：EP1930309B1

  公开（公告）日：2009-10-21