4-Nitro-benzoic acid (S)-2-ethyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl ester | 1025833-80-0

• 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: 4-Nitro-benzoic acid (S)-2-ethyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl ester
• 英文别名: [(3S)-3-ethyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl 4-nitrobenzoate
• CAS: 1025833-80-0
• 化学式: C₁₈H₂₃NO₆
• 分子量: 349.384
• InChiKey: NKKGPTJJVZTNID-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Nitro-benzoic acid (S)-2-ethyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl ester 在 palladium dihydroxide pyridine-SO3 complex 、 四丁基氟化铵 、 氢气 、 potassium carbonate 、 二甲基亚砜 、 对甲苯磺酰氯 、 lithium hexamethyldisilazane 作用下， 以 甲醇 、 三乙胺 为溶剂， 生成 5-[(R)-2-Ethyl-5-((R)-2-ethyl-1,4-dioxa-spiro[4.5]dec-2-yl)-pentylsulfanyl]-1-phenyl-1H-tetrazole
  参考文献：
  名称：

  The first total synthesis and absolute stereochemistry of plakortone G from the Jamaican sponge Plakortis sp.

  摘要：

  Total synthesis of plakortone G (1), a secondary metabolite of the Jamaican sponge Plakortis sp., was successfully achieved. The absolute configuration of this molecule was determined by comparison of the synthetic diastereomers with reported data to possess the (4R,8R)-configuration 14. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.03.169
• 作为产物：
  描述：

  环己酮二甲缩酮 、 4-硝基苯甲酰氯 、 (S)-2-(tert-Butyl-diphenyl-silanyloxymethyl)-butane-1,2-diol 在 camphor-10-sulfonic acid 、 四丁基氟化铵 作用下， 以 吡啶 为溶剂， 生成 4-Nitro-benzoic acid (S)-2-ethyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl ester
  参考文献：
  名称：

  The first total synthesis and absolute stereochemistry of plakortone G from the Jamaican sponge Plakortis sp.

  摘要：

  Total synthesis of plakortone G (1), a secondary metabolite of the Jamaican sponge Plakortis sp., was successfully achieved. The absolute configuration of this molecule was determined by comparison of the synthetic diastereomers with reported data to possess the (4R,8R)-configuration 14. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.03.169

文献信息

• The first total synthesis and absolute stereochemistry of plakortone G from the Jamaican sponge Plakortis sp.
  作者：Satomi Kowashi、Takahisa Ogamino、Junichi Kamei、Yuichi Ishikawa、Shigeru Nishiyama

  DOI：10.1016/j.tetlet.2004.03.169

  日期：2004.5

  Total synthesis of plakortone G (1), a secondary metabolite of the Jamaican sponge Plakortis sp., was successfully achieved. The absolute configuration of this molecule was determined by comparison of the synthetic diastereomers with reported data to possess the (4R,8R)-configuration 14. (C) 2004 Elsevier Ltd. All rights reserved.