(Z)-3-benzoyl-5-{3,3,9-trimethyl-8-(5-methyl-2-methoxyphenyl)-6-oxo-2-azaspiro[4.5]dec-7-ene-1-ylidene}-4-phenylcyclopent-3-ene-1,2-dione | 1516566-87-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (Z)-3-benzoyl-5-{3,3,9-trimethyl-8-(5-methyl-2-methoxyphenyl)-6-oxo-2-azaspiro[4.5]dec-7-ene-1-ylidene}-4-phenylcyclopent-3-ene-1,2-dione
• 英文别名: (5Z)-3-benzoyl-5-[8-(2-methoxy-5-methylphenyl)-3,3,9-trimethyl-6-oxo-2-azaspiro[4.5]dec-7-en-1-ylidene]-4-phenylcyclopent-3-ene-1,2-dione
• CAS: 1516566-87-2
• 化学式: C₃₈H₃₅NO₅
• 分子量: 585.7
• InChiKey: UCILAUBNLKAEBV-HIELXXDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  44.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  89.54
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-benzoyl-5-phenyl-furan-2,3-dione 、 (R,S)-8-(2-methoxy-5-methylphenyl)-1,3,3,9-tetramethyl-2-azaspiro[4.5]deca-1,7-dien-6-one 以 苯 为溶剂， 以92%的产率得到(Z)-3-benzoyl-5-{3,3,9-trimethyl-8-(5-methyl-2-methoxyphenyl)-6-oxo-2-azaspiro[4.5]dec-7-ene-1-ylidene}-4-phenylcyclopent-3-ene-1,2-dione
  参考文献：
  名称：

  Five-Membered 2,3-dioxoheterocycles: XCV. Recyclization of 4-benzoyl-5-phenylfuran-2,3-dione at the action of substituted 1,3,3-trimethyl-2-azaspiro[4.5]dec-1-enes. Crystal and molecular structure of substituted 5-(2-azaspiro[4.5]dec-1-ylidene)cyclopent-3-ene-1,2-dione

  摘要：

  4-Benzoyl-5-phenylfuran-2,3-dione reacts with 2',5',5'-trimethyl-4',5'-dihydro-4H-spiro[naphthalene-1,3'-pyrrol]-4-one and 8-(2-methoxy-5-methylphenyl)-1,3,3,9-tetramethyl-2-azaspiro[4.5]deca-1,7-dien-6-one with the formation of (Z)-3-benzoyl-5-(5',5'-dimethyl-4-oxo-4H-spiro[naphthalene-1,3'-pyrrolidin]-2'-ylidene)-4-phenylcyclopent-3-ene-1,2-dione, whose structure was proved by XRD analysis, and of (Z)-3-benzoyl-5-{8-(2-methoxy-5-methylphenyl)-3,3,9-trimethyl-6-oxo-2-azaspiro[4.5]dec-7-en-1-ylidene}-4-phenylcyclopent-3-ene-1,2-dione.

  DOI：

  10.1134/s1070428013110110