3,4-dihydro-3,3-dimethyl-12-(2-chlorophenyl)-2H-benzo[b]xanthene-1,6,11(12H)-trione | 1262487-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3,4-dihydro-3,3-dimethyl-12-(2-chlorophenyl)-2H-benzo[b]xanthene-1,6,11(12H)-trione
• 英文别名: 3,3-dimethyl-12-(2-chlorophenyl)-2,3,4,12-tetrahydrobenzo[b]xanthene-1,6,11-trione；12-(2-chlorophenyl)-3,3-dimethyl-4,12-dihydro-2H-benzo[b]xanthene-1,6,11-trione
• CAS: 1262487-91-1
• 化学式: C₂₅H₁₉ClO₄
• 分子量: 418.876
• InChiKey: GASOLTPDYLLXPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-羟基-1,4-萘醌 、 2-氯苯甲醛 、 5,5-二甲基-1,3-环己二酮 在 对甲苯磺酸 作用下， 以 水 为溶剂， 反应 16.0h， 以87%的产率得到3,4-dihydro-3,3-dimethyl-12-(2-chlorophenyl)-2H-benzo[b]xanthene-1,6,11(12H)-trione
  参考文献：
  名称：

  水中苯并氧杂蒽的高效三组分合成

  摘要：

  通过2-羟基萘-1,4-二酮，芳族醛和二甲酮或2-萘酚在水介质中的环缩合反应，干净，一锅三组分地合成新的二苯并[ a，i ] i吨-二酮衍生物被报道。J.杂环化​​学。（2010）。

  DOI：

  10.1002/jhet.420

文献信息

• Fused quinonic compounds
  申请人：Centro Atlantico del Medicamento S.A (Ceamed, S.A)

  公开号：EP2690094A1

  公开（公告）日：2014-01-29

  A compound having the formula (I): for use in treating disease; a composition comprising said fused quinonic compound of formula (I) and at least one pharmaceutically acceptable carrier; as well as a method of modulating a Janus Kinase-Signal Transduction and Activators of Transcription (JAK-STAT) pathway. The activation of a JAK-STAT pathway is associated with several disease states such as immunological and inflammatory diseases, hyperproliferative disorders including cancer, and myeloproliferative diseases.

  具有公式(I)的化合物： 用于治疗疾病；包含所述公式(I)的融合醌类化合物和至少一种药物可接受的载体的组合物；以及一种调节Janus激酶-信号转导和转录激活因子(JAK-STAT)通路的方法。JAK-STAT通路的激活与多种疾病状态有关，如免疫性和炎症性疾病、包括癌症在内的过度增殖障碍以及骨髓增殖性疾病。
• Polystyrene-supported GaCl3 as a highly efficient and reusable heterogeneous Lewis acid catalyst for the three-component synthesis of benzoxanthene derivatives
  作者：Ali Rahmatpour

  DOI：10.1007/s00706-013-0931-9

  日期：2013.8

  procedure utilizing polystyrene-supported gallium trichloride as a highly active and eco-friendly heterogeneous Lewis acid catalyst. This reaction was also extended to the preparation of 14-aryl-2-hydroxy-13H-dibenzo[a,i]xanthene-8,13(14H)-diones. The experimental and work-up procedure is very simple and the catalyst can be easily separated from the reaction mixture and reused several times in subsequent

  摘要基于萘醌的黄嘌呤，特别是14-芳基-13 H-二苯并[ a，i ] x吨-8,13 （14 H）-二酮和12-芳基-2,3,4,12-四氢-1 H-苯并[通过使用聚苯乙烯负载的三氯化镓作为高活性和生态友好型非均质路易斯酸催化剂，通过简单，温和和有效的三组分偶联程序，以良好至优异的收率获得了b ]吨蒽-1,6,11-三酮。 。该反应还扩展到制备14-芳基-2-羟基-13 H-二苯并[ a，i ]吨蒽-8,13（14 H）-diones。实验和后处理程序非常简单，催化剂可以轻松地从反应混合物中分离出来，并在后续反应中重复使用几次。 图形概要
• An efficient three-component synthesis of benzoxanthenes in water
  作者：Minoo Dabiri、Zeinab Noroozi Tisseh、Ayoob Bazgir

  DOI：10.1002/jhet.420

  日期：——

  A clean, one‐pot and three‐component synthesis of new dibenzo[a,i]xanthene‐diones derivatives by cyclo‐condensation reaction of 2‐hydroxynaphthalene‐1,4‐dione, aromatic aldehydes and dimedone or 2‐naphthol in aqueous media is reported. J. Heterocyclic Chem., (2010).

  通过2-羟基萘-1,4-二酮，芳族醛和二甲酮或2-萘酚在水介质中的环缩合反应，干净，一锅三组分地合成新的二苯并[ a，i ] i吨-二酮衍生物被报道。J.杂环化​​学。（2010）。
• Efficient one-pot three-component synthesis of 3,4-dihydro-12-phenyl-2H-benzo[b] xanthene-1,6,11(12H)-trione derivatives in ionic liquid
  作者：Baixiang Du、Gan Cai、Bo Zhao、Xiangxue Meng、Xiangshan Wang、Yuling Li

  DOI：10.1007/s11164-012-0688-5

  日期：2013.3

  A series of 3,4-dihydro-12-phenyl-2H-benzo[b]xanthene-1,6,11(12H)-trione derivatives have been synthesized in high yields in the presence of ionic liquid [bmim+]Br−. The reaction work-up is simple and the ionic liquid can be easily separated from the product and reused.

  一系列3,4-二氢-12-苯基-2H-苯并[b]咕吨-1,6,11(12H)-三酮衍生物已在离子液体[bmim+]Br−存在下以高产率成功合成。反应后处理简单，且离子液体可从产物中容易地分离并重复使用。
• Synthesis of benzoxanthene derivatives using Brønsted acidic ionic liquids (BAILs), 2-pyrrolidonium hydrogen sulfate and (4-sulfobutyl)tris(4-sulfophenyl)phosphonium hydrogen sulfate
  作者：Hamid Reza Shaterian、Mohammad Ranjbar、Kobra Azizi

  DOI：10.1016/j.molliq.2011.06.013

  日期：2011.8

  Bronsted acidic ionic liquids (BAILs), 2-pyrrolidonium hydrogen sulfate and (4-sulfobutyl)tris(4-sulfophenyl)phosphonium hydrogen sulfate are found to be efficient catalysts for synthesis of 14-aryl-14H-dibenzo[a,i]xanthene-8,13-dione, 3,4-dihydro-1H-benzo[b]xanthene-1,6,1 1(2H,12H)-trione, and aryl-5H-dibenzo[b,i]xanthene-5,7,12,14(13H)-tetraone derivatives. (C) 2011 Elsevier B.V. All rights reserved.