acetic acid (S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl ester | 1107609-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: acetic acid (S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl ester
• 英文别名: [(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-oxo-3,4-dihydronaphthalen-2-yl]methyl acetate
• CAS: 1107609-80-2
• 化学式: C₃₀H₃₄O₄Si
• 分子量: 486.683
• InChiKey: BDDMAQFBSSTDHR-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  acetic acid (S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl ester 在 甲醇 、 potassium carbonate 作用下， 生成 (S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxymethyl-3,4-dihydro-2H-naphthalen-1-one
  参考文献：
  名称：

  Enantioselective enzymatic desymmetrization of prochiral 1,3-diols and enzymatic resolution of monoprotected 1,3-diols based on α-tetralone and related multifunctional scaffolds

  摘要：

  Novel multifunctional chemotypes based on alpha-tetralone, alpha-indarione, and chromanone have been synthesized by a chemo-enzymatic approach by applying an enzymatic irreversible transesterification strategy. The scaffolds synthesized can be further elaborated with subsequent enzymatic as well as chemical transformations for the generation of new sets of structurally related organic molecules. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.024
• 作为产物：
  描述：

  乙酸乙烯酯 、 2-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxymethyl-3,4-dihydro-2H-naphthalen-1-one 在 CALB lipase 作用下， 生成 2-(tert-butyl-diphenyl-silanyloxymethyl)-2-hydroxymethyl-3,4-dihydro-2H-naphthalen-1-one 、 acetic acid (S)-2-(tert-butyl-diphenyl-silanyloxymethyl)-1-oxo-1,2,3,4-tetrahydro-naphthalen-2-ylmethyl ester
  参考文献：
  名称：

  Asymmetric synthesis of aryl cyclitols based on 1,2,3,4-tetrahydronaphthalene scaffolds

  摘要：

  A series of aryl cyclitols based on a 1,2,3,4-tetrahydronaphthalene scaffold have been synthesized in a stereocontrolled manner. These cyclitols possess four contiguous stereocenters amongst which one is a quaternary stereocenter, which has been constructed by applying enzymatic kinetic resolution reaction. The remaining stereocenters have been created by substrate directed asymmetric dihydroxylation reaction and stereoselective keto-reduction process. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.02.009