Dimethyl 4-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylcyclohexa-1,4-diene-1,2-dicarboxylate | 1295561-72-6

• 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: Dimethyl 4-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylcyclohexa-1,4-diene-1,2-dicarboxylate
• 英文别名: dimethyl 4-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylcyclohexa-1,4-diene-1,2-dicarboxylate
• CAS: 1295561-72-6
• 化学式: C₂₄H₂₅NO₆S
• 分子量: 455.532
• InChiKey: RDFKQAFRDZUFKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N,4-二甲基-N-(苯基乙炔基)苯磺酰胺 在 chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II) 作用下， 以 甲苯 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 50.0h， 生成 Dimethyl 4-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylcyclohexa-1,4-diene-1,2-dicarboxylate
  参考文献：
  名称：

  Regio- and Stereoselective Synthesis of 2-Amino-1,3-diene Derivatives by Ruthenium-Catalyzed Coupling of Ynamides and Ethylene

  摘要：

  A ruthenium-catalyzed hydrovinylation-type cross-coupling of ynamides and ethylene proceeds via ruthenacyclopentene to give 2-aminobuta-1,3-diene derivatives in a highly regioselective manner. It was also demonstrated that 2-aminobuta-1,3-diene derivatives reacted with various dienophiles or singlet oxygen to give a cyclic enamide derivative.

  DOI：

  10.1021/ol200812y

文献信息

• Regio- and Stereoselective Synthesis of 2-Amino-1,3-diene Derivatives by Ruthenium-Catalyzed Coupling of Ynamides and Ethylene
  作者：Nozomi Saito、Keiichi Saito、Motoo Shiro、Yoshihiro Sato

  DOI：10.1021/ol200812y

  日期：2011.5.20

  A ruthenium-catalyzed hydrovinylation-type cross-coupling of ynamides and ethylene proceeds via ruthenacyclopentene to give 2-aminobuta-1,3-diene derivatives in a highly regioselective manner. It was also demonstrated that 2-aminobuta-1,3-diene derivatives reacted with various dienophiles or singlet oxygen to give a cyclic enamide derivative.