5-benzyloxy-α,α,α',α'-tetraisopropyl-1,3-benzenedimethanol | 406910-33-6

• 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: 5-benzyloxy-α,α,α',α'-tetraisopropyl-1,3-benzenedimethanol
• 英文别名: 3-[3-(3-Hydroxy-2,4-dimethylpentan-3-yl)-5-phenylmethoxyphenyl]-2,4-dimethylpentan-3-ol
• CAS: 406910-33-6
• 化学式: C₂₇H₄₀O₃
• 分子量: 412.613
• InChiKey: UZEPYVLKXVAOLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Process for preparation of 3,5-bisalkylphenols
  申请人：——

  公开号：US20040044255A1

  公开（公告）日：2004-03-04

  The invention provides a process for producing a 3,5-bisalkylphenol (2) according to the following reaction scheme: 1 (wherein R 1 represents a hydrogen atom, an alkali metal atom, an alkaline earth metal atom, or a hydroxyl-protecting group (other than methyl group); R 2 represents a C1 to C5 lower alkyl group or an optionally substituted phenyl group; and each of R 3 and R 4 , which may be identical to or different from each other, represents a lower alkyl group, an aralkyl group, or an aryl group); a carbinol compound (1); and a process for producing the carbinol compound. The production process of the present invention enables efficient and safe production of a variety of 3,5-bisalkylphenols including 3,5-diisopropylphenol, which are important as synthesis intermediates for drugs and agricultural chemicals, in shorter steps at high purity in high yield, thus contributing to consistent supply of drugs and agricultural chemicals.

  本发明提供了一种制备3,5-双烷基苯酚(2)的方法，如下反应方程式所示：1（其中R1表示氢原子、碱金属原子、碱土金属原子或羟基保护基（甲基基外）；R2表示C1至C5的低级烷基或可选择取代的苯基；R3和R4各自表示低级烷基、芳基烷基或芳基）。本发明的生产工艺能够高效、安全地生产多种3,5-双烷基苯酚，包括重要的药物和农药合成中间体3,5-二异丙基苯酚，步骤更短、纯度更高、产率更高，从而有助于稳定供应药物和农药。
• PROCESS FOR PREPARATION OF 3,5-BISALKYLPHENOLS
  申请人：Kowa Co., Ltd.

  公开号：EP1319646B1

  公开（公告）日：2007-04-18
• US6806395B2
  申请人：——

  公开号：US6806395B2

  公开（公告）日：2004-10-19