3-(methylamino)-1,4-diphenylbut-2-en-1-one | 885700-79-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 3-(methylamino)-1,4-diphenylbut-2-en-1-one
• CAS: 885700-79-8
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: PECFKDNTJZEIPK-UHFFFAOYSA-N

物化性质

• 熔点：
  51-55 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  416.3±45.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-(methylamino)-1,4-diphenylbut-2-en-1-one 、 4-Methoxybenzendiazoniumtetraphenylborat 在 sodium acetate 作用下， 以 二氯甲烷 为溶剂， 以14%的产率得到4-benzyl-5-((4-methoxyphenyl)diazenyl)-3-methyl-2,2,6-triphenyl-1,3,2λ4-oxazaborine
  参考文献：
  名称：

  Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ⁴-oxazaborines and Their Rearrangement to 1,2,4,3λ⁴-Triazaborines

  摘要：

  The reaction of substituted benzenediazonium tetraphenylborates with the beta-enaminones derived from pentane-2,4-dione, 1-phenylbutane-1,3-dione, and 1,4-diphenylbutane-1,3-dione with a primary or secondary (N-methyl, N-phenyl) amino group in CH2Cl2 gives 5-(substituted-phenyldiazenyl)-2,2-diphenyl-4,6-disubstituted- 1,3,2 lambda(4)-oxazaborines or 5-(substituted-phenyldiazenyl)-2,2-diphenyl-3,4,6-trisubstituted-1,3,2 lambda(4)- oxazaborines, respectively. The reaction intermediate of these compounds has been identified, and a mechanism for the reaction has been suggested. Substituted 1,3,2 lambda(4)-oxazaborines gradually rearrange into 1,2,4,3 lambda(4)-triazaborines at temperatures above 100 degrees C.

  DOI：

  10.1021/om051078x

文献信息

• Synthesis and characterization of some 3-acyl-4-amino-1-aryl-1<i>H</i>-pyrazoles
  作者：Petr Šimůnek、Markéta Svobodová、Vladimír Macháček

  DOI：10.1002/jhet.127

  日期：2009.7

  A series of 3-acyl-4-amino-1-aryl-1H-pyrazoles has been prepared by reaction of β-enaminones with benzenediazonium tetrafluoroborates substituted especially by fluorine-containing groups (F, CF3, and OCF3). The compounds prepared have been characterized by means of 1H and 13C NMR spectroscopy. In the case of reaction of 5-phenylaminohept-4-en-3-one with 2,6-dichloro-4-trifluoromethylbenzenediazonium

  通过使β-烯酮与特别是被含氟基团（F，CF 3和OCF 3）取代的苯重氮四氟硼酸酯反应，制备了一系列的3-酰基-4-氨基-1-芳基-1 H-吡唑。制备的化合物已经通过1 H和13 C NMR光谱表征。在反应的情况下5-phenylaminohept-4-en-3-one与2,6-二氯-4-三氟甲基苯重氮四氟硼酸盐的偶氮偶合产物在相应的苯基氨基上吡唑已被分离和鉴定。中间（从烯胺酮到吡唑的途径中的4-（4-甲氧基苯基二氮烯基）-5-甲基氨基庚-4-烯-3-酮已被分离。J.杂环化​​学，（2009）。