benzyl (2S)-(3-(2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxopropyl)-6-isopropyl-6,9,9-trimethyl-6,7,8,9-tetrahydro-1H-benzo[g]indol-4-ylamino)-3-methylbutanoate | 1221426-34-1

• 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: benzyl (2S)-(3-(2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxopropyl)-6-isopropyl-6,9,9-trimethyl-6,7,8,9-tetrahydro-1H-benzo[g]indol-4-ylamino)-3-methylbutanoate
• CAS: 1221426-34-1
• 化学式: C₄₀H₅₇N₃O₆
• 分子量: 675.909
• InChiKey: RHQPRACOJWXYML-GETWBDKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.33
• 重原子数：
  49.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  118.75
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  benzyl (2S)-(3-(2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxopropyl)-6-isopropyl-6,9,9-trimethyl-6,7,8,9-tetrahydro-1H-benzo[g]indol-4-ylamino)-3-methylbutanoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048
• 作为产物：
  描述：

  、 benzyl (R)-4-methyl-2-(trifluoromethylsulfonyloxy)pentanoate 在 2,4-二甲基吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以4.8 g的产率得到benzyl (2S)-(3-(2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxopropyl)-6-isopropyl-6,9,9-trimethyl-6,7,8,9-tetrahydro-1H-benzo[g]indol-4-ylamino)-3-methylbutanoate
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048