(3S,7S,10S,14R)-10-Benzyl-14-hydroxy-8,11-dioxo-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1(18),15(19),16-triene-6-carboxylic acid tert-butyl ester | 312583-26-9

• 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: (3S,7S,10S,14R)-10-Benzyl-14-hydroxy-8,11-dioxo-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1(18),15(19),16-triene-6-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl (3S,7S,10S,14R)-10-benzyl-14-hydroxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),15(19),16-triene-6-carboxylate
• CAS: 312583-26-9
• 化学式: C₂₇H₃₃N₃O₆
• 分子量: 495.576
• InChiKey: CJWUNOQDQVKPDM-MLCQCVOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3S,7S,10S,14R)-10-Benzyl-14-hydroxy-8,11-dioxo-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1(18),15(19),16-triene-6-carboxylic acid tert-butyl ester 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3S,7S,10S,14S)-10-Benzyl-8,11-dioxo-14-phenylselanyl-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1(18),15(19),16-triene-6-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  The first total synthesis of mauritine-A

  摘要：

  Total synthesis of mauritine-A is accomplished featuring a key cycloetherification reaction based on an intramolecular SNAr reaction. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01335-6
• 作为产物：
  描述：

  (2S,3S)-1-Benzyl-3-hydroxy-pyrrolidine-2-carboxylic acid {(S)-1-[(R)-2-(4-fluoro-3-nitro-phenyl)-2-hydroxy-ethylcarbamoyl]-2-phenyl-ethyl}-amide 在 palladium dihydroxide 氢气 作用下， 以 叔丁醇 为溶剂， 生成 (3S,7S,10S,14R)-10-Benzyl-14-hydroxy-8,11-dioxo-2-oxa-6,9,12-triaza-tricyclo[13.2.2.0^3,7]nonadeca-1(18),15(19),16-triene-6-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  The first total synthesis of mauritine-A

  摘要：

  Total synthesis of mauritine-A is accomplished featuring a key cycloetherification reaction based on an intramolecular SNAr reaction. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01335-6

文献信息

• The first total synthesis of mauritine-A
  作者：Taoues Laı̈b、Michèle Bois-Choussy、Jieping Zhu

  DOI：10.1016/s0040-4039(00)01335-6

  日期：2000.9

  Total synthesis of mauritine-A is accomplished featuring a key cycloetherification reaction based on an intramolecular SNAr reaction. (C) 2000 Elsevier Science Ltd. All rights reserved.