| 1061619-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1061619-31-5
• 化学式: C₈₁H₇₀N₄Si
• 分子量: 1127.56
• InChiKey: ZXZPULSSWCPJDK-DRIIZZAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.69
• 重原子数：
  86.0
• 可旋转键数：
  14.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.78
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以58%的产率得到2-[4-[4-[4-[2-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-3-[4-[4-[4-[2-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-3-[4-(2-trimethylsilylethynyl)phenyl]phenyl]phenyl]buta-1,3-diynyl]phenyl]phenyl]phenyl]buta-1,3-diynyl]phenyl]-6-[4-[4-[4-[2-[N,N'-bis[(1R)-1-phenylethyl]carbamimidoyl]-3-[4-(2-trimethylsilylethynyl)phenyl]phenyl]phenyl]buta-1,3-diynyl]phenyl]-N,N'-bis[(1R)-1-phenylethyl]benzenecarboximidamide
  参考文献：
  名称：

  Sequence- and Chain-Length-Specific Complementary Double-Helix Formation

  摘要：

  The artificial sequential strands consisting of two, three, or four m-terphenyl groups joined by diacetylene linkers with complementary binding sites, either the chiral amidine (A) or achiral carboxyl (C) group, were synthesized in a stepwise manner. Using circular dichroism and H-1 NMR spectroscopies along with liquid chromatography, we showed that, when three dimeric molecular strands (AA, CC, and AC) or six trimeric molecular strands (AAA, CCC, AAC, CCA, ACA, and CAC) were mixed in solution, the complementary strands were sequence-specifically hybridized to form one-handed double-helical dimers AA center dot CC and (AC)(2) or trimers AAA center dot CCC, AAC center dot CCA, and ACA center dot CAC, respectively, through complementary amidinium-carboxylate salt bridges. Upon the addition of CCA to a mixture of AAA, AAC, and ACA, the AAC center dot CCA double helix was selectively formed and then isolated from the mixture by chromatography. Moreover, the homo-oligomer mixtures of amidine or carboxylic acid from the monomers to tetramers (A, AA, AAAA, C, CC, and CCCC) assembled with a precise chain length specificity to form A center dot C, AA center dot CC, and AAAA center dot CCCC, which were separated by chromatography.

  DOI：

  10.1021/ja806194e
• 作为产物：
  描述：

  C₈₄H₇₈N₄Si₂ 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以25%的产率得到
  参考文献：
  名称：

  Sequence- and Chain-Length-Specific Complementary Double-Helix Formation

  摘要：

  The artificial sequential strands consisting of two, three, or four m-terphenyl groups joined by diacetylene linkers with complementary binding sites, either the chiral amidine (A) or achiral carboxyl (C) group, were synthesized in a stepwise manner. Using circular dichroism and H-1 NMR spectroscopies along with liquid chromatography, we showed that, when three dimeric molecular strands (AA, CC, and AC) or six trimeric molecular strands (AAA, CCC, AAC, CCA, ACA, and CAC) were mixed in solution, the complementary strands were sequence-specifically hybridized to form one-handed double-helical dimers AA center dot CC and (AC)(2) or trimers AAA center dot CCC, AAC center dot CCA, and ACA center dot CAC, respectively, through complementary amidinium-carboxylate salt bridges. Upon the addition of CCA to a mixture of AAA, AAC, and ACA, the AAC center dot CCA double helix was selectively formed and then isolated from the mixture by chromatography. Moreover, the homo-oligomer mixtures of amidine or carboxylic acid from the monomers to tetramers (A, AA, AAAA, C, CC, and CCCC) assembled with a precise chain length specificity to form A center dot C, AA center dot CC, and AAAA center dot CCCC, which were separated by chromatography.

  DOI：

  10.1021/ja806194e