| 1221591-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1221591-50-9
• 化学式: C₂₅H₂₀FNO
• 分子量: 369.438
• InChiKey: MXWUCNXBYJCJSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 碘苯二乙酸 作用下， 以 甲醇 为溶剂， 以74%的产率得到3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-benzo[f][1,3]benzoxazine
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxicity study of 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines

  摘要：

  A series of new 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines (3 and 7) was synthesized in good yields and the structure was determined with the help of NMR, 2D-NMR, HRMS studies and X-ray crystallography. These compounds were tested in vitro for their antibacterial activity against Gram-positive and Gram-negative bacteria and as well as for antifungal activity. The compounds 3c, 3e, 7a, 7d and 7k showed significant antibacterial activity and 71 showed moderate antifungal activity. The cytotoxicity of 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines showed that 3e and 7e are more effective against breast, lung and colon cell proliferation. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.08.018
• 作为产物：
  描述：

  1-[(4-Methylphenyl)-[(4-methylphenyl)methylideneamino]methyl]naphthalen-2-ol 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxicity study of 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines

  摘要：

  A series of new 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines (3 and 7) was synthesized in good yields and the structure was determined with the help of NMR, 2D-NMR, HRMS studies and X-ray crystallography. These compounds were tested in vitro for their antibacterial activity against Gram-positive and Gram-negative bacteria and as well as for antifungal activity. The compounds 3c, 3e, 7a, 7d and 7k showed significant antibacterial activity and 71 showed moderate antifungal activity. The cytotoxicity of 1,3-disubstituted-1H-naphtho[1,2-e][1,3]oxazines showed that 3e and 7e are more effective against breast, lung and colon cell proliferation. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.08.018

文献信息

• Efficient Synthesis of Naphtho[1,2-<i>e</i>][1,3]oxazine Derivatives via a Chemoselective Reaction with the Aid of Low-Valent Titanium Reagent
  作者：Daqing Shi、Shaofeng Rong、Guolan Dou、Manman Wang

  DOI：10.1021/cc900073w

  日期：2010.1.11

  A series of new naphtho[1,2-e][1,3]oxazine derivatives such as trans-1,3-diaryl-1H-naphtho[1,2-e][1,3]oxazine-2(3H)-carbonyl chloride, 1-aryl-2-benzyl-1,2- dihydronaphtho[1,2-e][1,3]oxazine-3-one, and trans-1,3-diaryl-1H-naphtho[1,2-e] [1,3]oxazine-2(3H)-carbaldehyde were selectively synthesized via a chemoselective reaction of 1,3-diaryl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines and triphosgene or

  一系列新的萘并[1,2- e ] [1,3]恶嗪衍生物，例如反式-1,3-二芳基-1 H-萘并[1,2- e ] [1,3]恶嗪-2（3 H）-羰基氯，1-芳基-2-苄基-1,2-二氢萘并[1,2- e ] [1,3]恶嗪-3-酮和反式-1,3-二芳基-1 H-萘并通过1,2-三芳基-2,3-二氢-1H-萘[1,2- ]的化学选择反应选择性合成[1,2- e ] [1,3]恶嗪-2（3 H）-甲醛。Ë] [1,3]恶嗪和三光气或原甲酸三乙酯分别由不同的低价钛系统诱导。该方法具有反应时间短（15分钟），操作方便，化学选择性高的优点。