Na-salt of α-d-camphor | 2406-50-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Na-salt of α-d-camphor
• 英文别名: sodium 3-nitro-d-camphor
• CAS: 2406-50-0
• 化学式: C₁₀H₁₄NO₃*Na
• 分子量: 219.216
• InChiKey: FTVRUNWSEAFLAO-FXWROEHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.54
• 重原子数：
  15.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66.2
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  rac-tris-(ethylenediamine)-iridium(III) bromide * 3H2O 、 Na-salt of α-d-camphor 以 水 为溶剂， 生成 l-tris-(ethylenediamine)-iridium(III) αnitro-d-camphor
  参考文献：
  名称：

  Werner, A.; Smirnoff, A. P., Helvetica Chimica Acta, 1920, vol. 3, p. 483

  摘要：

  DOI：

文献信息

• Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds
  作者：Yukinari Sunatsuki、Sho Miyahara、Takayoshi Suzuki、Masaaki Kojima、Toshio Nakashima、Naohide Matsumoto、Frode Galsbøl

  DOI：10.1039/c0nj00270d

  日期：——

  The crystal structures of rac- and Λ-[MIII(tn)3]P3O9·nH2O (M = Co, Cr; tn = 1,3-diaminopropane = trimethylenediamine; P3O9 = cyclotriphosphate(3−)) were determined by single-crystal X-ray analyses. In rac-[Co(tn)3]P3O9·7.3H2O, the [Co(tn)3]3+ cations with the same absolute configuration (Δ or Λ) and the P3O93− anions are alternately arrayed and connected by multiple NH⋯O hydrogen bonds to form a homochiral columnar structure. Adjacent homochiral columns with opposite chirality are connected by intercolumn hydrogen bonds to form a racemic pair of columns. The crystal structure of rac-[Cr(tn)3]P3O9·7.5H2O is similar to that of the Co complex; however, there exist two types of racemic pairs of columns. In the crystal of Λ-[Co(tn)3]P3O9·2.5H2O, a pair of columns consisting of alternately stacked Λ-[Co(tn)3]3+ cations and P3O93− anions are linked by hydrogen bonds. Neighboring column pairs are further linked by hydrogen bonds to form a three-dimensional (3-D) sheet structure. The crystal structure of Λ-[Cr(tn)3]P3O9·2.5H2O is isomorphous with the Co complex. The circular dichroism (CD) spectra of aqueous solutions of Λ-[M(tn)3]Br3 (M = Co, Cr) change when P3O93− is added, and the changes were explained by ion pair formation through hydrogen bonds.

  rac-和Λ-[MIII(tn)3]P3O9·nH2O（M = Co, Cr；tn = 1,3-二氨丙烷 = 三亚胺；P3O9 = 环三磷酸(3−)）的晶体结构通过单一晶体X射线分析进行了确定。在rac-[Co(tn)3]P3O9·7.3H2O中，具有相同绝对构型（Δ或Λ）的[Co(tn)3]3+阳离子和P3O93−阴离子交替排列，并通过多个NH⋯O氢键连接形成同手性柱状结构。相邻的同手性柱具有相反的手性，通过柱间氢键连接形成一种外消旋对的柱。rac-[Cr(tn)3]P3O9·7.5H2O的晶体结构与Co复合物相似；然而，存在两种类型的外消旋柱对。在Λ-[Co(tn)3]P3O9·2.5H2O的晶体中，由交替堆叠的Λ-[Co(tn)3]3+阳离子和P3O93−阴离子组成的一对柱通过氢键连接。相邻的柱对进一步通过氢键链接形成三维（3-D）片状结构。Λ-[Cr(tn)3]P3O9·2.5H2O的晶体结构与Co复合物同构。Λ-[M(tn)3]Br3（M = Co, Cr）水溶液的圆二色性（CD）光谱在加入P3O93−时发生变化，这些变化可以通过氢键形成的离子对来解释。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ir: MVol., 5.34.3, page 148 - 151
  作者：

  DOI：——

  日期：——
• Werner, A.; Smirnoff, A. P., Helvetica Chimica Acta, <hi>1920</hi>, vol. 3, p. 478
  作者：Werner, A.、Smirnoff, A. P.

  DOI：——

  日期：——