(S)-1-[bis(4-methoxyphenyl)phenylmethoxy]-5,5-di(pyren-1-yl)pentan-2-ol | 1309671-53-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (S)-1-[bis(4-methoxyphenyl)phenylmethoxy]-5,5-di(pyren-1-yl)pentan-2-ol
• CAS: 1309671-53-1
• 化学式: C₅₈H₄₆O₄
• 分子量: 807.001
• InChiKey: GJWZXVWZKDGUAW-DXQCBLCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.78
• 重原子数：
  62.0
• 可旋转键数：
  13.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-1-[bis(4-methoxyphenyl)phenylmethoxy]-5,5-di(pyren-1-yl)pentan-2-ol 、 双(二异丙基氨基)(2-氰基乙氧基)膦 在 二异丙基铵盐四氮唑 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以80%的产率得到
  参考文献：
  名称：

  PYRENE INTERCALATING NUCLEIC ACIDS WITH A CARBON LINKER

  摘要：

  We have synthesized a carbon linker analogue of INA (oligonucleotides containing insertions of 1-O-(1-pyrenylmethyl)glycerol). Thermal stability studies showed an increase in melting temperature in favor of the carbon linker analogue. We also synthesized a carbon linker analogue with two pyrenes geminally attached. Fluorescence studies of this intercalating nucleic acid with the pyrene moieties inserted as a bulge showed formation of an excimer band. When a mismatch was introduced at the site of the intercalator, an excimer band was formed for the destabilized duplexes whereas an exciplex band was observed when the stability of the duplex was retained.

  DOI：

  10.1080/15257770.2011.567202
• 作为产物：
  描述：

  (S)-(+)-5-氧代-2-四氢呋喃羧酸 在 吡啶 、 三乙基硅烷 、 sodium tetrahydroborate 、 正丁基锂 、 palladium on activated charcoal 、 三氟化硼乙醚 、 氢气 、 sodium hydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 反应 56.67h， 生成 (S)-1-[bis(4-methoxyphenyl)phenylmethoxy]-5,5-di(pyren-1-yl)pentan-2-ol
  参考文献：
  名称：

  PYRENE INTERCALATING NUCLEIC ACIDS WITH A CARBON LINKER

  摘要：

  We have synthesized a carbon linker analogue of INA (oligonucleotides containing insertions of 1-O-(1-pyrenylmethyl)glycerol). Thermal stability studies showed an increase in melting temperature in favor of the carbon linker analogue. We also synthesized a carbon linker analogue with two pyrenes geminally attached. Fluorescence studies of this intercalating nucleic acid with the pyrene moieties inserted as a bulge showed formation of an excimer band. When a mismatch was introduced at the site of the intercalator, an excimer band was formed for the destabilized duplexes whereas an exciplex band was observed when the stability of the duplex was retained.

  DOI：

  10.1080/15257770.2011.567202