methyl (2S)-2-[(4-methoxyphenyl)methyl-(3-oxonon-8-enoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate | 898540-86-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 英文名称: methyl (2S)-2-[(4-methoxyphenyl)methyl-(3-oxonon-8-enoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate
• CAS: 898540-86-8
• 化学式: C₃₀H₃₇NO₆
• 分子量: 507.627
• InChiKey: ZZODMLGWZXRAPD-NDEPHWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-[(4-methoxyphenyl)methyl-(3-oxonon-8-enoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate 在 Grubbs catalyst first generation potassium tert-butylate 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 反应 36.5h， 生成
  参考文献：
  名称：

  Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core

  摘要：

  The central macrocyclic core of the macrocidins was constructed using RCM as the key reaction. A preliminary investigation dealing with the key reactions, that is, the Dieckmann cyclization and the RCM, revealed that RCM of the beta-ketoamide is better than RCM of the corresponding acyltetramic acid. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.192
• 作为产物：
  描述：

  methyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-(4-prop-2-enoxyphenyl)propanoate 、 2,2-Dimethyl-6-(5'-hexenyl)-1,3-dioxin-4-one 在 4-甲基苯磺酸吡啶 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以72%的产率得到methyl (2S)-2-[(4-methoxyphenyl)methyl-(3-oxonon-8-enoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate
  参考文献：
  名称：

  Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core

  摘要：

  The central macrocyclic core of the macrocidins was constructed using RCM as the key reaction. A preliminary investigation dealing with the key reactions, that is, the Dieckmann cyclization and the RCM, revealed that RCM of the beta-ketoamide is better than RCM of the corresponding acyltetramic acid. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.192

文献信息

• Synthetic studies toward macrocidins: an RCM approach for the construction of the central cyclic core
  作者：C.V. Ramana、Mohabul A. Mondal、Vedavati G. Puranik、Mukund K. Gurjar

  DOI：10.1016/j.tetlet.2006.03.192

  日期：2006.6

  The central macrocyclic core of the macrocidins was constructed using RCM as the key reaction. A preliminary investigation dealing with the key reactions, that is, the Dieckmann cyclization and the RCM, revealed that RCM of the beta-ketoamide is better than RCM of the corresponding acyltetramic acid. (c) 2006 Elsevier Ltd. All rights reserved.