Thiophene-2,5-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2,2-dimethyl-propyl)-amide] | 420783-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Thiophene-2,5-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2,2-dimethyl-propyl)-amide]
• CAS: 420783-02-4
• 化学式: C₁₈H₃₀N₂O₄S
• 分子量: 370.513
• InChiKey: BKIWASQCVAQBHB-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.02
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  98.66
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Thiophene-2,5-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2,2-dimethyl-propyl)-amide] 在 4,4'-二氨基二苯乙烯-2,2'-二磺酸 作用下， 生成 (+)-2,5-bis[4'-(S)-tert-butyloxazolin-2'-yl]thiophene
  参考文献：
  名称：

  Novel structure-defined chiral bis(oxazolinyl)thiophenes for Ru-catalyzed asymmetric cyclopropanation

  摘要：

  The novel structures of sulfur-containing chiral bis(oxazoline) compounds which have been synthesized have been determined by X-ray crystal diffraction analyses. A high enantioselectivity (ee >99'%) in the asymmetric cyclopropanation of diphenylethene with diazoester using the bis(oxazoline)-Ru(II) catalyst was obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.120
• 作为产物：
  描述：

  2,5-噻吩二羧酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Thiophene-2,5-dicarboxylic acid bis-[((S)-1-hydroxymethyl-2,2-dimethyl-propyl)-amide]
  参考文献：
  名称：

  Novel structure-defined chiral bis(oxazolinyl)thiophenes for Ru-catalyzed asymmetric cyclopropanation

  摘要：

  The novel structures of sulfur-containing chiral bis(oxazoline) compounds which have been synthesized have been determined by X-ray crystal diffraction analyses. A high enantioselectivity (ee >99'%) in the asymmetric cyclopropanation of diphenylethene with diazoester using the bis(oxazoline)-Ru(II) catalyst was obtained. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.05.120