3-(2-Hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one | 197169-36-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(2-Hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one
• CAS: 197169-36-1
• 化学式: C₁₃H₁₅NO₄S
• 分子量: 281.332
• InChiKey: NCYYABCNTLMUOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-Hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 生成 (E)-5-(2-hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-3-en-1-one
  参考文献：
  名称：

  Titanium Chelation in Regioselective Michael Additions to Conjugated Dienones and Trienones.

  摘要：

  The site of Michael addition of beta-hetero atom substituted thiols (such as mercaptoethanol) to unsubstituted 2, 4-dienone and 2, 4, 6-trienones is at the terminal (omega) position. This site preference is transferred to the beta site when the addition is accomplished using Ti+4 complexation. These beta site addition products rapidly rearrange to the omega position on base treatment. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01452-4
• 作为产物：
  描述：

  间硝基苯乙酮 在 N-甲基吗啉 、 四氯化钛 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-Hydroxyethylsulfanyl)-1-(3-nitrophenyl)pent-4-en-1-one
  参考文献：
  名称：

  Titanium Chelation in Regioselective Michael Additions to Conjugated Dienones and Trienones.

  摘要：

  The site of Michael addition of beta-hetero atom substituted thiols (such as mercaptoethanol) to unsubstituted 2, 4-dienone and 2, 4, 6-trienones is at the terminal (omega) position. This site preference is transferred to the beta site when the addition is accomplished using Ti+4 complexation. These beta site addition products rapidly rearrange to the omega position on base treatment. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01452-4

文献信息

• Titanium Chelation in Regioselective Michael Additions to Conjugated Dienones and Trienones.
  作者：Stephen J Brocchini、Richard G Lawton

  DOI：10.1016/s0040-4039(97)01452-4

  日期：1997.9

  The site of Michael addition of beta-hetero atom substituted thiols (such as mercaptoethanol) to unsubstituted 2, 4-dienone and 2, 4, 6-trienones is at the terminal (omega) position. This site preference is transferred to the beta site when the addition is accomplished using Ti+4 complexation. These beta site addition products rapidly rearrange to the omega position on base treatment. (C) 1997 Elsevier Science Ltd.