(3S,4S)-5-[(3S,4S)-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[g]isochromen-5-yl]-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-1,3,4,5-tetrahydrobenzo[g]isochromen-10-one | 205129-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: (3S,4S)-5-[(3S,4S)-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[g]isochromen-5-yl]-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-1,3,4,5-tetrahydrobenzo[g]isochromen-10-one
• CAS: 205129-09-5
• 化学式: C₃₆H₄₂O₁₂
• 分子量: 666.722
• InChiKey: GHEZGNZUCXPGPO-JZLLAALQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (3S,4S)-5-[(3S,4S)-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[g]isochromen-5-yl]-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-1,3,4,5-tetrahydrobenzo[g]isochromen-10-one 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (3S,4S,3'S,4'S)-7,9,7',9'-Tetramethoxy-4,4'-bis-methoxymethoxy-3,3'-dimethyl-3,4,3',4'-tetrahydro-1H,1'H-[5,5']bi[benzo[g]isochromenyl]-10,10'-diol
  参考文献：
  名称：

  The first total synthesis of a bioxanthracene (−)-ES-242-4, an N-methyl-D-aspartate receptor antagonist

  摘要：

  Bioxanthracene (-)-ES-242-4 has been synthesized from oxidative dimerization of a naphthopyran which was derived from an alpha,beta-unsaturated lactone and methyl 2,4-dimethoxy-6-methylbenzoate through tandem Michael-Dieckmann reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00040-9
• 作为产物：
  描述：

  5-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one 在 palladium on activated charcoal 三乙基硅烷 、 1,4-环己二烯 、 氧气 、 phosphorus pentoxide 、 二异丁基氢化铝 、 potassium carbonate 、 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 丙酮 、 苯 为溶剂， 反应 29.0h， 生成 (3S,4S)-5-[(3S,4S)-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[g]isochromen-5-yl]-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-1,3,4,5-tetrahydrobenzo[g]isochromen-10-one
  参考文献：
  名称：

  The first total synthesis of a bioxanthracene (−)-ES-242-4, an N-methyl-D-aspartate receptor antagonist

  摘要：

  Bioxanthracene (-)-ES-242-4 has been synthesized from oxidative dimerization of a naphthopyran which was derived from an alpha,beta-unsaturated lactone and methyl 2,4-dimethoxy-6-methylbenzoate through tandem Michael-Dieckmann reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00040-9

文献信息

• The first total synthesis of a bioxanthracene (−)-ES-242-4, an N-methyl-D-aspartate receptor antagonist
  作者：Kuniaki Tatsuta、Toru Yamazaki、Takanobu Mase、Takuji Yoshimoto

  DOI：10.1016/s0040-4039(98)00040-9

  日期：1998.3

  Bioxanthracene (-)-ES-242-4 has been synthesized from oxidative dimerization of a naphthopyran which was derived from an alpha,beta-unsaturated lactone and methyl 2,4-dimethoxy-6-methylbenzoate through tandem Michael-Dieckmann reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.