1-O-tert-butyl 7-O-methyl (E,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enedioate | 1026369-94-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-O-tert-butyl 7-O-methyl (E,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enedioate
• CAS: 1026369-94-7
• 化学式: C₂₂H₃₇NO₈
• 分子量: 443.538
• InChiKey: VBCMQJCSDIXIJH-ZQHYZAEZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-O-tert-butyl 7-O-methyl (E,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enedioate 在 盐酸 、 tris(1,3-dihydro-2-oxobenzoxazolin-3-yl) phosphine oxide 、 三乙胺 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 77.0h， 生成 甲基(2S,5S)-7-氧代-1-氮杂双环[3.2.0]庚烷-2-羧酸酯
  参考文献：
  名称：

  Convenient syntheses of (3S,5S)-carbapenam-3-carboxylates and their biosynthetic relevance

  摘要：

  Starting from readily available glutamate derivatives, facile stereoselective syntheses of (3S,5S)-carbapenam-3-carboxylates have been developed. Their significance in confirming the absolute configuration of the natural material is discussed. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)02731-4
• 作为产物：
  描述：

  (S)-dimethyl 2-(bis(tert-butoxycarbonyl)amino)pentanedioate 在 二异丁基氢化铝 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 12.5h， 生成 1-O-tert-butyl 7-O-methyl (E,6S)-6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enedioate
  参考文献：
  名称：

  Convenient syntheses of (3S,5S)-carbapenam-3-carboxylates and their biosynthetic relevance

  摘要：

  Starting from readily available glutamate derivatives, facile stereoselective syntheses of (3S,5S)-carbapenam-3-carboxylates have been developed. Their significance in confirming the absolute configuration of the natural material is discussed. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(02)02731-4

文献信息

• Convenient syntheses of (3S,5S)-carbapenam-3-carboxylates and their biosynthetic relevance
  作者：Barrie W Bycroft、Siri Ram Chhabra、Barrie Kellam、Paul Smith

  DOI：10.1016/s0040-4039(02)02731-4

  日期：2003.1

  Starting from readily available glutamate derivatives, facile stereoselective syntheses of (3S,5S)-carbapenam-3-carboxylates have been developed. Their significance in confirming the absolute configuration of the natural material is discussed. (C) 2003 Published by Elsevier Science Ltd.