2-Isobutnyl estradiol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-Isobutnyl estradiol
• 英文别名: (13S,17S)-13-methyl-2-(2-methylpropyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• 化学式: C₂₂H₃₂O₂
• 分子量: 328.5
• InChiKey: NFBYXABUAHVOLX-ROKIQVFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS<br/>[FR] INTRODUCTION DE SUBSTITUANTS ALKYLE DANS DES COMPOSÉS AROMATIQUES
  申请人：B G NEGEV TECH AND APPLICATIONS LTD AT BEN-GURION UNIV

  公开号：WO2016132355A1

  公开（公告）日：2016-08-25

  Novel selective synthesis route to introduce primary alkyl groups on aromatic compounds is disclosed. The synthesis route is based on electrophilic aromatic substitutions of thionium ion species that are generated in-situ from aldehydes and thiols, affording benzyl sulfide that can be reduced with triethylsilane.

  披露了一种新颖的选择性合成路线，用于在芳香化合物上引入初级烷基团。该合成路线基于在芳香取代反应中生成的硫正离子物种，这些硫正离子物种是从醛和硫醇原位生成的，从而得到可以与三乙基硅烷还原的苯甲基硫醚。
• Introduction of alkyl substituents to aromatic compounds
  申请人：B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY

  公开号：US10351492B2

  公开（公告）日：2019-07-16

  Novel selective synthesis route to introduce primary alkyl groups on aromatic compounds is disclosed. The synthesis route is based on electrophilic aromatic substitutions of thionium ion species that are generated in-situ from aldehydes and thiols, affording benzyl sulfide that can be reduced with triethylsilane.

  本发明公开了在芳香族化合物上引入伯烷基的新型选择性合成路线。该合成路线基于由醛和硫醇原位生成的硫离子物种的亲电芳香取代，从而得到可被三乙基硅烷还原的苄基硫醚。
• INTRODUCTION OF ALKYL SUBSTITUENTS TO AROMATIC COMPOUNDS
  申请人：B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY

  公开号：US20180065904A1

  公开（公告）日：2018-03-08

  Novel selective synthesis route to introduce primary alkyl groups on aromatic compounds is disclosed. The synthesis route is based on electrophilic aromatic substitutions of thionium ion species that are generated in-situ from aldehydes and thiols, affording benzyl sulfide that can be reduced with triethylsilane.