2-(tert-Butyl-dimethyl-silanyloxy)-1-(4-chloro-phenyl)-ethanol | 872182-24-6

• 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: 2-(tert-Butyl-dimethyl-silanyloxy)-1-(4-chloro-phenyl)-ethanol
• 英文别名: 2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethanol
• CAS: 872182-24-6
• 化学式: C₁₄H₂₃ClO₂Si
• 分子量: 286.874
• InChiKey: IBIXMLUKOAJKPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(tert-Butyl-dimethyl-silanyloxy)-1-(4-chloro-phenyl)-ethanol 在 四丙基高钌酸铵 、 葡萄糖 、 Yamadazyma farinosa IFO 10896 、 N-甲基吗啉氧化物 作用下， 以 phosphate buffer 、 二氯甲烷 为溶剂， 反应 54.0h， 生成 (S)-1-(4-chlorophenyl)-1,2-ethanediol
  参考文献：
  名称：

  Microbial asymmetric reduction of α-hydroxyketones in the anti-Prelog selectivity

  摘要：

  Yamadazyma farinosa IFO 10896 was found to reduce alpha -hydroxyketones bearing a phenyl ring to give optically active diols with anti-Prelog selectivity. The distance between the carbonyl group and the phenyl ring was shown to have an interesting effect on the reactivity and selectivity of the enzyme system. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00448-7
• 作为产物：
  描述：

  4-氯苯乙烯 在 4-二甲氨基吡啶 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 1.0h， 生成 2-(tert-Butyl-dimethyl-silanyloxy)-1-(4-chloro-phenyl)-ethanol
  参考文献：
  名称：

  Microbial asymmetric reduction of α-hydroxyketones in the anti-Prelog selectivity

  摘要：

  Yamadazyma farinosa IFO 10896 was found to reduce alpha -hydroxyketones bearing a phenyl ring to give optically active diols with anti-Prelog selectivity. The distance between the carbonyl group and the phenyl ring was shown to have an interesting effect on the reactivity and selectivity of the enzyme system. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00448-7

文献信息

• Discovery of Highly Potent, Selective, and Efficacious Small Molecule Inhibitors of ERK1/2
  作者：Li Ren、Jonas Grina、David Moreno、James F. Blake、John J. Gaudino、Rustam Garrey、Andrew T. Metcalf、Michael Burkard、Matthew Martinson、Kevin Rasor、Huifen Chen、Brian Dean、Stephen E. Gould、Patricia Pacheco、Sheerin Shahidi-Latham、Jianping Yin、Kristina West、Weiru Wang、John G. Moffat、Jacob B. Schwarz

  DOI：10.1021/jm501921k

  日期：2015.2.26

  Using structure-based design, a novel series of pyridone ERK1/2 inhibitors was developed. Optimization led to the identification of (S)-14k, a potent, selective, and orally bioavailable agent that inhibited tumor growth in mouse xenograft models. On the basis of its in vivo efficacy and preliminary safety profiles, (S)-14k was selected for further preclinical evaluation.
• Microbial asymmetric reduction of α-hydroxyketones in the anti-Prelog selectivity
  作者：Toshikuni Tsujigami、Takeshi Sugai、Hiromichi Ohta

  DOI：10.1016/s0957-4166(01)00448-7

  日期：2001.10

  Yamadazyma farinosa IFO 10896 was found to reduce alpha -hydroxyketones bearing a phenyl ring to give optically active diols with anti-Prelog selectivity. The distance between the carbonyl group and the phenyl ring was shown to have an interesting effect on the reactivity and selectivity of the enzyme system. (C) 2001 Elsevier Science Ltd. All rights reserved.