6-methoxy-3-vinyl-1,2-dihydronaphthalene | 832734-43-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-methoxy-3-vinyl-1,2-dihydronaphthalene
• 英文别名: 3-Ethenyl-6-methoxy-1,2-dihydronaphthalene
• CAS: 832734-43-7
• 化学式: C₁₃H₁₄O
• mdl: MFCD09029852
• 分子量: 186.254
• InChiKey: NOIJYCCWVDEJGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-methoxy-3-vinyl-1,2-dihydronaphthalene 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 、 四氯化碳 为溶剂， 反应 52.0h， 生成
  参考文献：
  名称：

  Convenient Synthesis of NCS−Chromophore Metabolite Isosteres:  Binding Agents for Bulged DNA Microenvironments

  摘要：

  A designed molecule with capacity to bind DNA bulges (20) has been prepared from readily available starting materials. The spirocyclic template was modeled on a metabolite of neocarzinostatin chromophore (NCSi-gb) and is equipped with functionality to enable convenient bioassay. Preliminary studies confirm binding at specific bulged sequences and induction of polymerase-mediated slippage events. The target compound offers a convenient means to study affinity for unique bulged motifs and for use as a molecular biology reagent.

  DOI：

  10.1021/ol0400591
• 作为产物：
  描述：

  2-acetyl-7-methoxy-3,4-dihydronaphthalen-1(2H)-one 在 吡啶 、 sodium tetrahydroborate 、 三氯氧磷 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 6-methoxy-3-vinyl-1,2-dihydronaphthalene
  参考文献：
  名称：

  Convenient Synthesis of NCS−Chromophore Metabolite Isosteres:  Binding Agents for Bulged DNA Microenvironments

  摘要：

  A designed molecule with capacity to bind DNA bulges (20) has been prepared from readily available starting materials. The spirocyclic template was modeled on a metabolite of neocarzinostatin chromophore (NCSi-gb) and is equipped with functionality to enable convenient bioassay. Preliminary studies confirm binding at specific bulged sequences and induction of polymerase-mediated slippage events. The target compound offers a convenient means to study affinity for unique bulged motifs and for use as a molecular biology reagent.

  DOI：

  10.1021/ol0400591

文献信息

• Convenient Synthesis of NCS−Chromophore Metabolite Isosteres:  Binding Agents for Bulged DNA Microenvironments
  作者：Yiqing Lin、Graham B. Jones、Geum-Sook Hwang、Lizzy Kappen、Irving H. Goldberg

  DOI：10.1021/ol0400591

  日期：2005.1.1

  A designed molecule with capacity to bind DNA bulges (20) has been prepared from readily available starting materials. The spirocyclic template was modeled on a metabolite of neocarzinostatin chromophore (NCSi-gb) and is equipped with functionality to enable convenient bioassay. Preliminary studies confirm binding at specific bulged sequences and induction of polymerase-mediated slippage events. The target compound offers a convenient means to study affinity for unique bulged motifs and for use as a molecular biology reagent.