3-<(tetrahydro-2-furanylmethoxy)methyl>benzo-thiophene | 138166-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-<(tetrahydro-2-furanylmethoxy)methyl>benzo-thiophene
• 英文别名: 2-(1-benzothiophen-3-ylmethoxymethyl)oxolane
• CAS: 138166-55-9
• 化学式: C₁₄H₁₆O₂S
• 分子量: 248.346
• InChiKey: GYUDVXKURNTNHG-UHFFFAOYSA-N

物化性质

• 沸点：
  391.0±22.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  四氢糠醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 反应 3.67h， 生成 3-<(tetrahydro-2-furanylmethoxy)methyl>benzo-thiophene
  参考文献：
  名称：

  Model Studies for Damage to Nucleic Acids Mediated by Thiyl Radicals

  摘要：

  The ability of phenylthiovinyl radicals to abstract hydrogen from appropriately substituted carbon atoms has been studied as a model for the reactions of the deoxyribose units of DNA with similar radicals in vivo.

  DOI：

  10.1016/s0040-4020(01)88306-x

文献信息

• Model systems for hydrogen atom abstraction from DNA
  作者：Jonathan Griffiths、John A. Murphy

  DOI：10.1039/c39910001422

  日期：——

  Addition of thiyl radicals to alkynes produces vinyl radicals that abstract hydrogen atoms from tetrahydrofurans and a tetrahydropyran mimicking the crucial stages of the action of the anti-tumour agents, neocarzinostatin, esperamicin and calicheamicin.

  在炔烃中加入硫基会产生乙烯基，乙烯基会从四氢呋喃和四氢吡喃中抽取氢原子，模拟抗肿瘤药物新卡西诺汀、埃斯帕米星和卡利卡星作用的关键阶段。
• Model Studies for Damage to Nucleic Acids Mediated by Thiyl Radicals
  作者：Jonathan Griffiths、John A. Murphy

  DOI：10.1016/s0040-4020(01)88306-x

  日期：1992.1

  The ability of phenylthiovinyl radicals to abstract hydrogen from appropriately substituted carbon atoms has been studied as a model for the reactions of the deoxyribose units of DNA with similar radicals in vivo.