4-tert-Butoxymethyl-5-[4,4-dimethyl-5-methylene-pyrrolidin-(2Z)-ylidenemethyl]-4-methyl-3,4-dihydro-pyrrol-2-one | 197068-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: 4-tert-Butoxymethyl-5-[4,4-dimethyl-5-methylene-pyrrolidin-(2Z)-ylidenemethyl]-4-methyl-3,4-dihydro-pyrrol-2-one
• 英文别名: 5-[(Z)-(4,4-dimethyl-5-methylidenepyrrolidin-2-ylidene)methyl]-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]-3H-pyrrol-2-one
• CAS: 197068-21-6
• 化学式: C₁₈H₂₈N₂O₂
• 分子量: 304.433
• InChiKey: IGBBNKMFYUUNFP-JYRVWZFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  50.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-tert-Butoxymethyl-5-[4,4-dimethyl-5-methylene-pyrrolidin-(2Z)-ylidenemethyl]-4-methyl-3,4-dihydro-pyrrol-2-one 生成
  参考文献：
  名称：

  Extension of the Eschenmoser sulfide contraction/iminoester cyclization method to the synthesis of tolyporphin chromophore

  摘要：

  Tolyporphin chromophore 2 has been synthesized by performing a double-retroaldol/oxidation sequence on an octahydroporphyrin precursor 28 prepared by using the Eschenmoser sulfide-contraction/iminoester-condensation method. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01601-8
• 作为产物：
  描述：

  α-甲基-γ-丁内酯 在 硫酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.0h， 生成 4-tert-Butoxymethyl-5-[4,4-dimethyl-5-methylene-pyrrolidin-(2Z)-ylidenemethyl]-4-methyl-3,4-dihydro-pyrrol-2-one
  参考文献：
  名称：

  Extension of the Eschenmoser sulfide contraction/iminoester cyclization method to the synthesis of tolyporphin chromophore

  摘要：

  Tolyporphin chromophore 2 has been synthesized by performing a double-retroaldol/oxidation sequence on an octahydroporphyrin precursor 28 prepared by using the Eschenmoser sulfide-contraction/iminoester-condensation method. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)01601-8

文献信息

• Extension of the Eschenmoser sulfide contraction/iminoester cyclization method to the synthesis of tolyporphin chromophore
  作者：Thomas G. Minehan、Yoshito Kishi

  DOI：10.1016/s0040-4039(97)01601-8

  日期：1997.9

  Tolyporphin chromophore 2 has been synthesized by performing a double-retroaldol/oxidation sequence on an octahydroporphyrin precursor 28 prepared by using the Eschenmoser sulfide-contraction/iminoester-condensation method. (C) 1997 Elsevier Science Ltd.