1-methoxy-4-phenylphthalazine | 15994-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-methoxy-4-phenylphthalazine
• 英文别名: 1-methoxy-4-phenyl-phthalazine；1-Methoxy-4-phenyl-phthalazin；4-Methoxy-1-phenylphthalazin
• CAS: 15994-77-1
• 化学式: C₁₅H₁₂N₂O
• mdl: MFCD00436663
• 分子量: 236.273
• InChiKey: YEQIEUQHZWAWBR-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138 °C(Solv: ligroine (8032-32-4))
• 沸点：
  447.8±30.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methoxy-4-phenylphthalazine 以60%的产率得到
  参考文献：
  名称：

  IIJIMA CHIHOKO; MORIKAWA TEIKO; HAYASHI EISAKU, YAKUGAKU DZASSI. YAKUGAKU ZASSNI, J. PHARM. SOS JAR. , 1975, 95,+

  摘要：

  DOI：
• 作为产物：
  描述：

  4-苯基-1(2H)-酞嗪酮 在 五氯化磷 、 sodium 、 三氯氧磷 作用下， 生成 1-methoxy-4-phenylphthalazine
  参考文献：
  名称：

  Functionalization by metalation of the benzene moiety of benzodiazines. Determination of structures by long-range 1H-15N correlation at natural abundance. Diazines XXV

  摘要：

  The first lithiation of the benzene moiety of various quinazolinones, quinoxalines, and phthalazines has been performed. The effects of kind and positions of various directing groups towards the regioselectivity of the metalation have been studied. Unambiguous structure determinations of quinoxaline derivatives have been carried out by applying NMR GHMBC H-1-N-15 sequence. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00202-1

文献信息

• Functionalization by metalation of the benzene moiety of benzodiazines. Determination of structures by long-range 1H-15N correlation at natural abundance. Diazines XXV
  作者：V.Gautheron Chapoulaud、I. Salliot、N. Plé、A. Turck、G. Quéguiner

  DOI：10.1016/s0040-4020(99)00202-1

  日期：1999.4

  The first lithiation of the benzene moiety of various quinazolinones, quinoxalines, and phthalazines has been performed. The effects of kind and positions of various directing groups towards the regioselectivity of the metalation have been studied. Unambiguous structure determinations of quinoxaline derivatives have been carried out by applying NMR GHMBC H-1-N-15 sequence. (C) 1999 Elsevier Science Ltd. All rights reserved.
• IIJIMA CHIHOKO; MORIKAWA TEIKO; HAYASHI EISAKU, YAKUGAKU DZASSI. YAKUGAKU ZASSNI, J. PHARM. SOS JAR. <YKKZ-AJ>, 1975, 95,+
  作者：IIJIMA CHIHOKO、 MORIKAWA TEIKO、 HAYASHI EISAKU

  DOI：——

  日期：——

表征谱图