3,6,9-trioxa-1,11-undecanediyl 1,3-adamantanedicarboxylate | 126077-28-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 3,6,9-trioxa-1,11-undecanediyl 1,3-adamantanedicarboxylate
• 英文别名: 1,4,7,10,13-pentaoxa-15,17-(1,3-adamantylene)-14,18-cyclooctadecanedione；3,6,9,12,15-Pentaoxatetracyclo[15.5.1.11,19.117,21]pentacosane-2,16-dione
• CAS: 126077-28-9
• 化学式: C₂₀H₃₀O₇
• 分子量: 382.454
• InChiKey: XJOVFGNTMUHDFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  三缩四乙二醇 、 1,3-金刚烷二甲酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 12.0h， 以18%的产率得到3,6,9-trioxa-1,11-undecanediyl 1,3-adamantanedicarboxylate
  参考文献：
  名称：

  Diamond crowns: Design, synthesis and X-ray crystallographic studies of a novel family of adamantane-containing crown ethers

  摘要：

  A novel family of crown ethers, containing adamantane units in the cyclic framework, has been designed and synthesized by a straightforward one-step procedure. The design strategy permits the incorporation of a variety of a-amino acids to provide adamantane-constrained chiral crown ethers for use as simple models in studying ion-transport and host-guest complexation. X-ray crystallographic studies on four members of this family have revealed interesting conformational features. Ion complexation studies of several members with alkali metal and ammonium ions are reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00311-7

文献信息

• Chaikovskaya, A. A.; Kudyra, T. N.; Pinchuk, A. M., Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 9.2, p. 1808 - 1810
  作者：Chaikovskaya, A. A.、Kudyra, T. N.、Pinchuk, A. M.

  DOI：——

  日期：——
• Yurchenko, A. G.; Likhotvornik, I. R.; Mel'nik, N. N., Journal of Organic Chemistry USSR (English Translation), 1990, vol. 26, # 8, p. 1565 - 1566
  作者：Yurchenko, A. G.、Likhotvornik, I. R.、Mel'nik, N. N.

  DOI：——

  日期：——
• CHAJKOVSKAYA, A. A.;KUDRYA, T. N.;PINCHUK, A. M., ZH. ORGAN. XIMII, 25,(1989) N, S. 2000-2003
  作者：CHAJKOVSKAYA, A. A.、KUDRYA, T. N.、PINCHUK, A. M.

  DOI：——

  日期：——
• YURCHENKO, A. G.;LIXOTVORIK, I. R.;MELNIK, N. N., ZH. ORGAN. XIMII, 26,(1990) N, S. 1808-1809
  作者：YURCHENKO, A. G.、LIXOTVORIK, I. R.、MELNIK, N. N.

  DOI：——

  日期：——
• Diamond crowns: Design, synthesis and X-ray crystallographic studies of a novel family of adamantane-containing crown ethers
  作者：Darshan Ranganathan、V. Haridas、Isabella L. Karle

  DOI：10.1016/s0040-4020(99)00311-7

  日期：1999.5

  A novel family of crown ethers, containing adamantane units in the cyclic framework, has been designed and synthesized by a straightforward one-step procedure. The design strategy permits the incorporation of a variety of a-amino acids to provide adamantane-constrained chiral crown ethers for use as simple models in studying ion-transport and host-guest complexation. X-ray crystallographic studies on four members of this family have revealed interesting conformational features. Ion complexation studies of several members with alkali metal and ammonium ions are reported. (C) 1999 Elsevier Science Ltd. All rights reserved.