(9ci)-3-甲基-1H-茚-2-羰酰氯 | 184102-76-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 中文名称: (9ci)-3-甲基-1H-茚-2-羰酰氯
• 英文名称: 3-methyl-1H-indene-2-carbonyl chloride
• 英文别名: 3-methylindene-2-oyl chloride
• CAS: 184102-76-9
• 化学式: C₁₁H₉ClO
• 分子量: 192.645
• InChiKey: RNDDSIMRABKWGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  (9ci)-3-甲基-1H-茚-2-羰酰氯 在 吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 2-[[2-[(3-methyl-1H-indene-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
  参考文献：
  名称：

  Anthranilic acid based CCK1 antagonists: the 2-indole moiety may represent a “needle” according to the recent homonymous concept

  摘要：

  Recently we described an innovative class of non-peptide CCK1 antagonists keeping appropriate pharmacophoric groups on the anthranilic acid employed as a molecular scaffold. The lead compound obtained, VL-0395, characterized by the presence of Phe and the 2-indole moiety at the C- and N-termini of anthranilic acid, respectively, is endowed with submicromolar affinity towards CCK1 receptors. Thus, we have prepared and tested on CCK receptors a library of VL-0395 analogues in order to investigate the precise topological and essential key interactions of the 2-indole group of the lead with the CCK1 receptor. The obtained results confirm that this group establishes very specific interactions with this receptor sub-site and may be viewed as a "needle" group. (C) 2003 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2003.11.010
• 作为产物：
  描述：

  3-甲基茚-2-羧酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到(9ci)-3-甲基-1H-茚-2-羰酰氯
  参考文献：
  名称：

  通过不饱和酰氯和炔烃的催化分子改组合成环戊烯酮

  摘要：

  我们描述了使用钯催化分子间合成多取代环戊烯酮的一般策略。总体而言，该反应是通过涉及炔烃、α,β-不饱和酰氯（作为烯烃和一氧化碳来源）和氢硅烷的分子改组过程实现的，以产生三个新的 CC 键。这种新的无一氧化碳途径提供了具有优异产量的产品。此外，区域选择性是对环戊烯酮合成常规方法的补充。此外，还提出了一组区域和化学发散反应，以强调这种新策略的合成潜力。

  DOI：

  10.1021/jacs.0c10832

文献信息

• Antiarrythmic and cardioprotective substituted indenoylguanidines
  申请人：Hoechst Aktiengesellschaft

  公开号：US05733934A1

  公开（公告）日：1998-03-31

  Indenoylguanidines of formula I and formula II, the process for their preparation, their use as medicaments, medicaments containing them, their use as diagnostic agents and medicaments containing them are described. Compounds I are useful for treating cardiac arrhythmias. Further they are useful as cardioprotective agents in mammals, which comprises administering the compound of formula-I or II with the above properties in combination with pharmaceutically accepted carrier to said mammal. ##STR1##

  本文描述了式I和式II的Indenoylguanidines，它们的制备过程，作为药物的用途，含有它们的药物，作为诊断试剂的用途以及含有它们的药物。化合物I对治疗心律失常有用。此外，它们作为哺乳动物的心脏保护剂也很有用，包括将具有上述性质的式I或II化合物与药学上接受的载体结合后，用于给予该哺乳动物。
• Aza-Nazarov cyclization cascades
  作者：Kiran Kumar Solingapuram Sai、Matthew J. O’Connor、Douglas A. Klumpp

  DOI：10.1016/j.tetlet.2010.11.164

  日期：2011.4

  Benzamides with tethered acetal groups undergo reactions in CF3SO3H to give ring-fused isoindolinones by a cyclization cascade. The reaction initially forms an N-acyliminium ion which then gives the isoindolinone by the aza-Nazarov reaction. An unusual variant also cyclizes at the allylic position. (C) 2010 Elsevier Ltd. All rights reserved.
• Anti-arrhythmic and cardioprotective substituted indenoylguanidines
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0738712B1

  公开（公告）日：1999-08-18
• US5733934A
  申请人：——

  公开号：US5733934A

  公开（公告）日：1998-03-31
• Anthranilic acid based CCK1 antagonists: the 2-indole moiety may represent a “needle” according to the recent homonymous concept
  作者：Antonio Varnavas、Lucia Lassiani、Valentina Valenta、Federico Berti、Andrea Tontini、Laura Mennuni、Francesco Makovec

  DOI：10.1016/j.ejmech.2003.11.010

  日期：2004.1

  Recently we described an innovative class of non-peptide CCK1 antagonists keeping appropriate pharmacophoric groups on the anthranilic acid employed as a molecular scaffold. The lead compound obtained, VL-0395, characterized by the presence of Phe and the 2-indole moiety at the C- and N-termini of anthranilic acid, respectively, is endowed with submicromolar affinity towards CCK1 receptors. Thus, we have prepared and tested on CCK receptors a library of VL-0395 analogues in order to investigate the precise topological and essential key interactions of the 2-indole group of the lead with the CCK1 receptor. The obtained results confirm that this group establishes very specific interactions with this receptor sub-site and may be viewed as a "needle" group. (C) 2003 Elsevier SAS. All rights reserved.