cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime ) | 2297-69-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime )
• 英文别名: Cyclohepta-3,6-dien-1,2,5-trion-5-(O-acetyl-oxim)；3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime；[(4,5-dioxocyclohepta-2,6-dien-1-ylidene)amino] acetate
• CAS: 2297-69-0
• 化学式: C₉H₇NO₄
• mdl: MFCD01734226
• 分子量: 193.159
• InChiKey: VKYWUUUJICLJFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  72.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3-甲氧基吡啶 、 cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime ) 以 二氯甲烷 为溶剂， 反应 168.0h， 以28%的产率得到12-Hydroxy-6-methoxy-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,5,7,9,11-hexaen-13-one
  参考文献：
  名称：

  Novel Heterocyclic Troponoids: Synthe- sis of Pyridoimidazotropolones and Related Compounds by the Reaction of 5-Nitrosotropolone with Several Azines

  摘要：

  Novel heterocyclic troponoids, such as pyridoimidazotropolones (3-4, 5-11, 12-13, 14-15 and 16) were synthesized by the reaction of 5-nitrosotropolone (1) with azines as pyridine, m- and p-substituted pyridines, pyridazine, isoquinoline and phthalazine. Similarly, thiazol afforded 17. The reaction mechanism involves multi-step reactions; acetylation of 1, Michael addition of azines to nitrosotropolone acetate (2), cyclization and deacetoxylation. The scope and limitation of this method are also discussed.

  DOI：

  10.3987/com-03-s(p)48
• 作为产物：
  描述：

  5-nitrosotropolone 、 乙酸酐 在 吡嗪 作用下， 反应 27.0h， 以93%的产率得到cyclohepta-3,6-diene-1,2,5-trion-5-(O-acetyl oxime )
  参考文献：
  名称：

  Novel Heterocyclic Troponoids: Synthe- sis of Pyridoimidazotropolones and Related Compounds by the Reaction of 5-Nitrosotropolone with Several Azines

  摘要：

  Novel heterocyclic troponoids, such as pyridoimidazotropolones (3-4, 5-11, 12-13, 14-15 and 16) were synthesized by the reaction of 5-nitrosotropolone (1) with azines as pyridine, m- and p-substituted pyridines, pyridazine, isoquinoline and phthalazine. Similarly, thiazol afforded 17. The reaction mechanism involves multi-step reactions; acetylation of 1, Michael addition of azines to nitrosotropolone acetate (2), cyclization and deacetoxylation. The scope and limitation of this method are also discussed.

  DOI：

  10.3987/com-03-s(p)48

文献信息

• Nozoe et al., Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., 1953, vol. <I> 37, p. 388,397
  作者：Nozoe et al.

  DOI：——

  日期：——
• SAITO I.; SAKAN K.; ITO S., CHEM. LETT., 1977, NO 3, 253-256
  作者：SAITO I.、 SAKAN K.、 ITO S.

  DOI：——

  日期：——

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