4,9-dihydroxy-2-phenylbenzo[f]isoindole-1,3-dione | 92897-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,9-dihydroxy-2-phenylbenzo[f]isoindole-1,3-dione
• CAS: 92897-93-3
• 化学式: C₁₈H₁₁NO₄
• 分子量: 305.29
• InChiKey: AZWGHROULKSTRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.84
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,2-dihydrophthalic anhydride 在 三乙胺 、 zinc(II) chloride 作用下， 以 乙腈 为溶剂， 生成 4,9-dihydroxy-2-phenylbenzo[f]isoindole-1,3-dione
  参考文献：
  名称：

  1,3-双-（三甲基甲硅烷氧基）-异苯并呋喃酮

  摘要：

  可以由二氢邻苯二甲酸酐制备1，3-双-（三甲基甲硅烷氧基）-异苯并呋喃（）。它在反应条件下不稳定，但可以被亲二烯物捕获。四苯基衍生物显示出对质子化更稳定。

  DOI：

  10.1016/s0040-4039(01)81342-3

文献信息

• Hiv integrase inhibitors
  申请人：Verschueren Wim Gaston

  公开号：US20060211724A1

  公开（公告）日：2006-09-21

  The present invention concerns the compounds having the formula (1), N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof wherein (a) or (b); A, together with the two carbons of the phenyl ring to which it is attached forms a monocyclic aryl or a monocyclic Het 2 ; R 1 is hydrogen, halo, nitro, cyano, sultam, sultim, C 3-7 cycloalkyl, C(═O)—R 5 , S(═O) y —R 6 , OR 7 , NR 8 R 9 , C(═NR 8 )—R 5 , optionally polysubstituted C 1-6 alkyl, optionally polysubstituted C 2-6 alkenyl or optionally polysubstituted C 2-6 alkynyl; R 2 is hydrogen, C 3-7 cycloalkyl, aryl, Het 1 , Het 2 , C(═O)—R 5 , S(═) y —R 6 OR 7 , NR 8 R 9 , C═NR 8 )—R 5 , or optionally polysubstituted C 1-6 alkyl, optionally polysubstituted C 2-6 alkenyl or optionally polysubstituted C 2-6 alkynyl. It further relates to their use as HIV integrase inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with other anti-retroviral agents, and to their use in assays as reference compounds or as reagents.

  本发明涉及具有式（1）的化合物，N-氧化物，盐，立体异构体，外消旋混合物，前药，酯和其代谢物，其中（a）或（b）; A与其附着的苯环的两个碳形成单环芳基或单环Het2; R1是氢，卤素，硝基，氰基，磺酰胺，磺酰亚胺，C3-7环烷基，C（═O）-R5，S（═O）y-R6，OR7，NR8R9，C（═NR8）-R5，可选地多取代的C1-6烷基，可选地多取代的C2-6烯基或可选地多取代的C2-6炔基; R2是氢，C3-7环烷基，芳基，Het1，Het2，C（═O）-R5，S（═）y-R6OR7，NR8R9，C═NR8）-R5，或可选地多取代的C1-6烷基，可选地多取代的C2-6烯基或可选地多取代的C2-6炔基。它进一步涉及它们作为HIV整合酶抑制剂的用途，它们的制备过程以及包含它们的制药组合物和诊断试剂盒。它还涉及它们与其他抗逆转录病毒药物的组合，以及它们作为参考化合物或试剂在测定中的使用。
• TROLL, T.;SCHMID, K., TETRAHEDRON LETT., 1984, 25, N 28, 2981-2984
  作者：TROLL, T.、SCHMID, K.

  DOI：——

  日期：——
• HIV INTEGRASE INHIBITORS
  申请人：Tibotec Pharmaceuticals Ltd.

  公开号：EP1625130A2

  公开（公告）日：2006-02-15
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS D'INTEGRASE VIH
  申请人：TIBOTEC PHARM LTD

  公开号：WO2004096807A2

  公开（公告）日：2004-11-11

  The present invention concerns the compounds having the formula (I), N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof wherein (a) or (b); A, together with the two carbons of the phenyl ring to which it is attached forms a monocyclic aryl or a monocyclic Het2 ; R1 is hydrogen, halo, nitro, cyano, sultam, sulltim, C3-7cycloalkyl, C(=O)-R5, S(=O)y-R6, OR 7, NR8R9, C(=NR8)-R5, optionally polysubstituted C1-6alkyl, optionally polysubstituted C2-6alkenyl or optionally polysubstituted C2-6alkynyl; R 2 is hydrogen, C3-7cycloalkyl, aryl, Het1, Het2, C(=O)-R5, S(=O)Y-R6 OR7, NR8R9, C=NR8)-R5, or optionally polysubstituted C1-6alkyl, optionally polysubstituted C2-6alkenyl or optionally polysubstituted C2-6alkynyl. It further relates to their use as HIV integrase inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with other anti-retroviral agents, and to their use in assays as reference compounds or as reagents.
• Darstellung und reaktionen von 1,3-bis-(trimethylsiloxy)-isobenzofuranen
  作者：T. Troll、K. Schmid

  DOI：10.1016/s0040-4039(01)81342-3

  日期：1984.1

  1,3-Bis-(trimethylsiloxy)-isobenzofuran () can be prepared from dihydro phthalic anhydride. It is not stable under the reaction conditions but can be trapped with dienophiles. The tetraphenyl derivative showed to be more stable towards protonation.

  可以由二氢邻苯二甲酸酐制备1，3-双-（三甲基甲硅烷氧基）-异苯并呋喃（）。它在反应条件下不稳定，但可以被亲二烯物捕获。四苯基衍生物显示出对质子化更稳定。