Hex-BP | 763877-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Hex-BP
• 英文别名: (1-hexylpyridin-1-ium-4-yl)-phenylmethanone
• CAS: 763877-11-8
• 化学式: C₁₈H₂₂NO
• 分子量: 268.379
• InChiKey: SMQFWNUWBGTLOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  21
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Hex-BP 、 葫芦[7]脲 以 水 为溶剂， 生成
  参考文献：
  名称：

  Simultaneous Electron Transfer from Free and Intercalated 4-Benzoylpyridinium Cations in Cucurbit[7]uril

  摘要：

  N-Substituted 4-benzoylpyridinium monocations form stable host-guest complexes with cucurbit[7]uril (CB[71) in DMSO (K-eq approximate to 0.6-1.9 x 10(3) M-1). Observation of simultaneous reversible and quasi-reversible e-transfer processes from the free and intercalated quests, respectively, is attributed to the pre-e-transfer host-guest equilibrium. The standard rate constant for Me-BP@CB[7] (k(s) = 1.0 x 10(-4) cm-s(-1)) reflects e-transfer across 5.7 angstrom, corresponding to the distance of the intercalated guest from the outmost perimeter of CB[7] (5.3 angstrom).

  DOI：

  10.1021/ol9002459

文献信息

• The First Palladium-Catalyzed Desulfitative Sonogashira-Type Cross-Coupling of (Hetero)aryl Thioethers with Terminal Alkynes
  作者：Vaibhav Pravinchandra Mehta、Anuj Sharma、Erik Van der Eycken

  DOI：10.1021/ol800054b

  日期：2008.3.1

  An unprecedented desulfitative Sonogashira-type cross-coupling protocol is exemplified by the synthesis of substituted 5-chloro-3-alkynylpyrazinones from the corresponding 5-chloro-3-(phenylsulfanyl) pyrazin-2(1H)-ones. The applicability of the method is extended to solid-phase linked pyrazin-2(1H)-ones as well as to some oxazinones, pyrazines, and phenyl thioesters.

  由相应的5-氯-3-（苯基硫烷基）吡嗪-2（1H）-酮合成取代的5-氯-3-炔基吡嗪酮类化合物，说明了空前的脱硫Sonogashira型交叉偶联方案。该方法的适用范围扩展到固相连接的吡嗪-2（1H）-酮以及一些恶嗪酮，吡嗪和苯基硫代酯。