2-(1,3-dimethyl-2-dihydrobenzimidazolyl)-indandione-1,3 | 55697-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-(1,3-dimethyl-2-dihydrobenzimidazolyl)-indandione-1,3
• 英文别名: 2-(1,3-dimethyl-1,3-dihydro-benzoimidazol-2-ylidene)-indan-1,3-dione；2-(1,3-Dimethylbenzimidazol-2-ylidene)indene-1,3-dione
• CAS: 55697-79-5
• 化学式: C₁₈H₁₄N₂O₂
• 分子量: 290.321
• InChiKey: WCHGJBJEAJNKCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(1,3-dimethyl-2-dihydrobenzimidazolyl)-indandione-1,3 、 zinc(II) chloride 以 乙醚 、 氯仿 为溶剂， 生成 zinc(II)Cl2(2-(1,3-dimethyl-2-dihydrobenzimidazolyl)-indandione-1,3)2
  参考文献：
  名称：

  Metal complexes of 2-hetarylindandiones-1,3

  摘要：

  The chelate and molecular complexes of 2-(2-benzazolyl, perimidyl)-indandiones-1,3 were synthesized for the first time. The structures of the ligands (tautomeric forms) and complex compounds were determined from the X-ray diffraction, H-1, C-13 NMR, and IR data and the quantum-chemical calculations (RHF SCF in 6-31 G** basis).

  DOI：

  10.1134/s1070328408050011
• 作为产物：
  描述：

  2-甲基苯并咪唑 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 76.0h， 生成 2-(1,3-dimethyl-2-dihydrobenzimidazolyl)-indandione-1,3
  参考文献：
  名称：

  Indane-1,3-diones IX, synthèse et activité anti-inflammatoire de 2-polyaza-arylindane-1,3-diones et de leurs dérivés N- ou O-substitués

  摘要：

  A series of 2 polyaza-arylindane-1,3-diones diversely substituted on the heterocycle and the homocycle were synthetized in order to study their anti-inflammatory activity. These enaminodiketones give in alkaline medium polydent anions which can undergo, in presence of electrophilic agents, C, N or O-substitution. The Mitsunobu reaction proved to be the most useful method in attempts to gain regiospecific attack at nitrogen. Pharmacomodulation by the introduction of an ethyl group on the nitrogen of the basic molecule, eventually coupled with 5-methoxylation on the homocycle, proved to be fruitful in the pyridazinyl, pyrimidinyl and tetrazolyl series. Among the 3 most active molecules 31, 43 and 50, the second one was selected for a more detailed pharmacological study.

  DOI：

  10.1016/0223-5234(90)90193-7

文献信息

• PIESSARD, S. ROBERT;LEBLOIS, D.;KUMAR, P.;ROBERT, J. M.;LE, BAUT G.;SPARF+, EUR. J. MED. CHEM., 25,(1990) N, C. 737-747
  作者：PIESSARD, S. ROBERT、LEBLOIS, D.、KUMAR, P.、ROBERT, J. M.、LE, BAUT G.、SPARF+

  DOI：——

  日期：——
• Indane-1,3-diones IX, synthèse et activité anti-inflammatoire de 2-polyaza-arylindane-1,3-diones et de leurs dérivés N- ou O-substitués
  作者：S Robert-Piessard、D Leblois、P Kumar、JM Robert、G Le Baut、L Sparfel、B Robert、E Khettab、RY Sanchez、JY Petit、L Welin

  DOI：10.1016/0223-5234(90)90193-7

  日期：1990.11

  A series of 2 polyaza-arylindane-1,3-diones diversely substituted on the heterocycle and the homocycle were synthetized in order to study their anti-inflammatory activity. These enaminodiketones give in alkaline medium polydent anions which can undergo, in presence of electrophilic agents, C, N or O-substitution. The Mitsunobu reaction proved to be the most useful method in attempts to gain regiospecific attack at nitrogen. Pharmacomodulation by the introduction of an ethyl group on the nitrogen of the basic molecule, eventually coupled with 5-methoxylation on the homocycle, proved to be fruitful in the pyridazinyl, pyrimidinyl and tetrazolyl series. Among the 3 most active molecules 31, 43 and 50, the second one was selected for a more detailed pharmacological study.
• Metal complexes of 2-hetarylindandiones-1,3
  作者：E. V. Sennikova、A. S. Antsyshkina、G. G. Sadikov、A. V. Bicherov、O. Yu. Korshunov、G. S. Borodkin、M. S. Korobov、V. S. Sergienko、N. N. Kharabaev、A. D. Garnovskii

  DOI：10.1134/s1070328408050011

  日期：2008.5

  The chelate and molecular complexes of 2-(2-benzazolyl, perimidyl)-indandiones-1,3 were synthesized for the first time. The structures of the ligands (tautomeric forms) and complex compounds were determined from the X-ray diffraction, H-1, C-13 NMR, and IR data and the quantum-chemical calculations (RHF SCF in 6-31 G** basis).