1-(1-异氰基乙基)-3-甲氧基苯 | 1037841-96-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(1-异氰基乙基)-3-甲氧基苯
• 英文名称: 1-(1-isocyanoethyl)-3-methoxybenzene
• CAS: 1037841-96-5
• 化学式: C₁₀H₁₁NO
• 分子量: 161.203
• InChiKey: BTWGCFNVXCTPOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  13.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1-异氰基乙基)-3-甲氧基苯 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 0.33h， 生成 6-chloro-3-(3-methoxyphenyl)-3-methyl-3,4-dihydroisoquinoline
  参考文献：
  名称：

  Synthesis of 3,4-Dihydroisoquinolines by Cyclization of 1-Bromo-2-(2-isocyanoalkyl)benzenes with Butyllithium

  摘要：

  A new and convenient method for the preparation of 3,3-disubstituted 3,4-dihydroisoquinolines has been developed. Thus, the reaction of 1-bromo-2-(bromomethyl)benzenes with (1-isocyano-1-lithioalkyl)benzenes, generated by the treatment of (1-isocyanoalkyl)benzenes with butyllithium, in THF at -78 degrees C gave the corresponding 1-(2-aryl-2-isocyanoalkyl)-2-bromobenzenes, which in turn were transformed into the desired products on treatment with butyllithium in THF at -78 degrees C.

  DOI：

  10.3987/com-12-12620
• 作为产物：
  描述：

  N-甲酰基-1-(3-甲氧基苯基)乙胺 在 三乙胺 、 三氯氧磷 作用下， 以77%的产率得到1-(1-异氰基乙基)-3-甲氧基苯
  参考文献：
  名称：

  Synthesis of 3,4-Dihydroisoquinolines by Cyclization of 1-Bromo-2-(2-isocyanoalkyl)benzenes with Butyllithium

  摘要：

  A new and convenient method for the preparation of 3,3-disubstituted 3,4-dihydroisoquinolines has been developed. Thus, the reaction of 1-bromo-2-(bromomethyl)benzenes with (1-isocyano-1-lithioalkyl)benzenes, generated by the treatment of (1-isocyanoalkyl)benzenes with butyllithium, in THF at -78 degrees C gave the corresponding 1-(2-aryl-2-isocyanoalkyl)-2-bromobenzenes, which in turn were transformed into the desired products on treatment with butyllithium in THF at -78 degrees C.

  DOI：

  10.3987/com-12-12620

文献信息

• CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：Hutchinson John Howard

  公开号：US20110098302A1

  公开（公告）日：2011-04-28

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions and medicaments that include the antagonists of PGD 2 receptors described herein, as well as methods of using such antagonists of PGD 2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本文描述了PGD2受体拮抗剂化合物。还描述了包括本文所述的PGD2受体拮抗剂在内的制药组合物和药物，以及使用这种PGD2受体拮抗剂，单独或与其他化合物结合，治疗呼吸系统、心血管系统和其他PGD2依赖性或PGD2介导的疾病或病症的方法。
• US8242145B2
  申请人：——

  公开号：US8242145B2

  公开（公告）日：2012-08-14