Dimethyl ester of 4,9-diamantanebisacetic acid | 110082-06-9

• 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: Dimethyl ester of 4,9-diamantanebisacetic acid
• 英文别名: dimethyl ester of 4,9-diamantanediacetic acid；dimethyl 2,2'-(diamantane-4,9-diyl)diacetate；Methyl 2-[9-(2-methoxy-2-oxoethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]acetate
• CAS: 110082-06-9
• 化学式: C₂₀H₂₈O₄
• 分子量: 332.44
• InChiKey: QPJXABGBRKGNLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Dimethyl ester of 4,9-diamantanebisacetic acid 在 肼 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以100%的产率得到2,2'-(diamantane-4,9-diyl)diacetic acid dihydrazide
  参考文献：
  名称：

  Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design

  摘要：

  A series of new adamantane and diamantane hydrazides was synthesized and coupled with organo-functionalized Sn/S clusters of the general type [(RSn4S6)-Sn-I] (R-I = CMe2CH2COMe) to form diamondoid-decorated Sn/S dusters. The new ligand precursors as well as the resulting hybrid compounds were analyzed by NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction, and first insights were gained in the installation of sterically highly demanding and at the same time rigid mono-, di-, and trifunctionalized diamondoid ligands on tetrelchalcogenide cages.

  DOI：

  10.1021/om500014z
• 作为产物：
  描述：

  4-hydroxydiamantane 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 Dimethyl ester of 4,9-diamantanebisacetic acid
  参考文献：
  名称：

  Vodicka, Ludek; Burkhard, Jiri; Janku, Josef, Collection of Czechoslovak Chemical Communications, 1986, vol. 51, # 5, p. 1086 - 1093

  摘要：

  DOI：

文献信息

• Preparative Synthesis of Vinyl Diamondoids
  作者：Andrey A. Fokin、Ekaterina D. Butova、Anastasiya V. Barabash、Nhan N. Huu、Boryslav A. Tkachenko、Natalie A. Fokina、Peter R. Schreiner

  DOI：10.1080/00397911.2012.667491

  日期：2013.7.3

  We describe a convenient four-step preparation of 1- vinyl adamantane, 1- vinyl diamantane, and 4,9-divinyl diamantane from the respective diamondoid acetic acids in 50-80% isolated yields involving esterification, reduction, and hydrobromination/dehydrobromination.Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.
• VODICKA L.; BURKHARD J.; JANKU J., COLLECT. CZECHOSL. CHEM. COMMUN., 51,(1986) N 5, 1086-1093
  作者：VODICKA L.、 BURKHARD J.、 JANKU J.

  DOI：——

  日期：——
• BURKHARD, JIRI;JANKU, JOSEF;ZACHAR, PAVEL;VODICKA, LUDEK, SB. VSCHT PRAZE., 55,(1986) 5-20
  作者：BURKHARD, JIRI、JANKU, JOSEF、ZACHAR, PAVEL、VODICKA, LUDEK

  DOI：——

  日期：——
• Vodicka, Ludek; Burkhard, Jiri; Janku, Josef, Collection of Czechoslovak Chemical Communications, 1986, vol. 51, # 5, p. 1086 - 1093
  作者：Vodicka, Ludek、Burkhard, Jiri、Janku, Josef

  DOI：——

  日期：——
• Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design
  作者：Beatrix E. K. Barth、Boryslav A. Tkachenko、Jens P. Eußner、Peter R. Schreiner、Stefanie Dehnen

  DOI：10.1021/om500014z

  日期：2014.4.14

  A series of new adamantane and diamantane hydrazides was synthesized and coupled with organo-functionalized Sn/S clusters of the general type [(RSn4S6)-Sn-I] (R-I = CMe2CH2COMe) to form diamondoid-decorated Sn/S dusters. The new ligand precursors as well as the resulting hybrid compounds were analyzed by NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction, and first insights were gained in the installation of sterically highly demanding and at the same time rigid mono-, di-, and trifunctionalized diamondoid ligands on tetrelchalcogenide cages.