2-methoxy-6-(2-nitrophenyl)naphthalene | 722536-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methoxy-6-(2-nitrophenyl)naphthalene
• CAS: 722536-27-8
• 化学式: C₁₇H₁₃NO₃
• 分子量: 279.295
• InChiKey: WFYKZVCPRNNVEX-UHFFFAOYSA-N

物化性质

• 沸点：
  442.4±25.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-6-(2-nitrophenyl)naphthalene 在 2,4,5,6-四(9H-咔唑-9-基)异酞腈 、 三苯基膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 96.0h， 以79%的产率得到3-methoxy-11H-benzo[a]carbazole
  参考文献：
  名称：

  可见光驱动的卡多根反应

  摘要：

  已发现可见光驱动的光化学卡多根型环化。发现有机 DA 型光敏剂 4CzIPN 是将能量从光子转移到瞬态中间体的有效介质，该中间体打破了卡多根反应中的脱氧壁垒，并使无温和金属的咔唑和相关杂环成为可能。DFT 计算结果表明硝基双芳烃和 PPh 3的中间体复合物的温和吸能形成，这与关于反应温度的实验结果一致。光氧化还原 Cadogan 反应系统的强大合成能力已通过广泛范围的咔唑和相关N-杂环的可行生产力得到证明，这些N-杂环对各种官能团具有良好的耐受性。

  DOI：

  10.1016/j.cclet.2021.02.047
• 作为产物：
  描述：

  1-溴-2-硝基苯 、 6-甲氧基萘-2-硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以92%的产率得到2-methoxy-6-(2-nitrophenyl)naphthalene
  参考文献：
  名称：

  融合N-杂环的快速合成的过渡金属免费亲电芳烃的C胺化？H债券

  摘要：

  我们公开了在温和的条件下从容易获得的2-硝基联芳基和PhMgBr开始制备稠合N杂环的有效且操作简单的方案。使用这种方法已经合成了超过十二个N-杂环，包括两种具有生物活性的天然产物。通过DFT计算提出了逐步亲电芳族环化的机理。

  DOI：

  10.1002/anie.201309973

文献信息

• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• Selective estrogen receptor modulator
  申请人：Hamaoka Shinichi

  公开号：US20060116364A1

  公开（公告）日：2006-06-01

  The present invention provides a compound represented by the following formula [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof

  本发明提供了一种化合物，其表示为以下式子[其中T表示单键，C1-C4的烷基，可能带有取代基等；式(I-1)表示单键或双键；A表示单键，二价的5-至14-成员杂环基团，可能带有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基团等，可与5-至6-成员环缩合并且可能具有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R'表示1至4个独立的氢原子等；R"表示1至4个独立的氢原子等]或其盐，或其水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATOR
  申请人：Hamaoka Shinichi

  公开号：US20090325930A1

  公开（公告）日：2009-12-31

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; (I-1) formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了一种由以下式（I）表示的化合物；[其中，T表示单键，C1-C4烷基，可以有取代基等；（I-1）式（I-1）表示单键或双键；A表示单键，双价的5-至14-成员杂环基，可以有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基等，可以与5-至6-成员环缩合，可以有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R′表示1至4个独立的氢原子等；R″表示1至4个独立的氢原子等]或其盐，或其水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATORS
  申请人：Eisai Co., Ltd.

  公开号：EP1577288A1

  公开（公告）日：2005-09-21

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; Ra and Rb are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R' represents 1 to 4 independent hydrogen atoms and the like; and R" represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了由下式（I）代表的化合物； [其中 T 代表单键、可能具有取代基的 C1-C4 亚烷基等； 式（I-1）代表单键或双键；A 代表单键、可具有取代基等的二价 5 至 14 元杂环基团；Y 代表单键等；Z 代表亚甲基等；环 G 代表可与 5 至 6 元环缩合且可具有杂原子的亚苯基等；Ra和Rb彼此相同或不同，代表氢原子等；W代表单键等；R'代表1至4个独立氢原子等；R "代表1至4个独立氢原子等]或其盐或其水合物。
• Selective estrogen receptor modulators
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1577288B1

  公开（公告）日：2014-07-23