1-Acetyl-6-chlor-5-cyclohexylindan | 52802-53-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1-Acetyl-6-chlor-5-cyclohexylindan
• 英文别名: 1-(6-chloro-5-cyclohexyl-2,3-dihydro-1H-inden-1-yl)ethanone
• CAS: 52802-53-6
• 化学式: C₁₇H₂₁ClO
• 分子量: 276.806
• InChiKey: YUCXOCRFIWLOTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环氯茚酸 、 乙酸酐 在 吡啶 作用下， 生成 1-Acetyl-6-chlor-5-cyclohexylindan
  参考文献：
  名称：

  潜在的抗炎药。三，1-取代的6-氯-5-环己基茚满作为6-氯-5-环己基丹丹-1-羧酸（TAI-284）的相关化合物的合成。

  摘要：

  一些 1-取代的 6-氯-5-环己基茚满：6-氯-5-环己基-1-羟甲基碳基茚满(5)、1-乙酰基-6-氯-5-环己基-1-茚满醇(10)、5-[(6-氯-5-环己基茚满)-1-基]四氮唑(13)和 6-氯-5-环己基-1-甲基茚满-1-羧酸(14)、制备了 6-氯-5-环己基茚满-1-羧酸（TAI-284）（1）的相关化合物，TAI-284 是一种有效的非甾体抗炎剂。在这项工作中，发现了一种有趣的重排反应，即通过乙酸处理，从 5 的乙酸酯 (4) 到 3-乙酰基-5-氯-6-环己基茚 (6)，并提出了这一反应的机理。

  DOI：

  10.1248/cpb.22.537

文献信息

• NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE
  申请人：Vizioli Ednir de Oliveira

  公开号：US20110118303A1

  公开（公告）日：2011-05-19

  The present invention relates to compounds derived from taurine with non-steroidal anti inflammatory activity. In a first embodiment, the present invention relates to compounds derived from taurine, in which taurine is bound directly by means of an amide bond or through an spacing group, to a compound selected from the group of non-steroidal anti inflammatory compounds, cited as derived from taurine presenting the Formula (I): in which R means the component with non-steroidal anti inflammatory activity. In a second embodiment, the invention provides a process for obtaining the compounds of Formula (I) by reaction of taurine with a compound belonging to the group of non-steroidal anti inflammatory (NSAIs), in order to obtain a compound derived from taurine by direct bond or through a spacing group of the taurine to the NSAI. The invention also relates to the pharmaceutical compositions comprising at least one compound derived from taurine presenting non-steroidal anti inflammatory activity.
• US8569335B2
  申请人：——

  公开号：US8569335B2

  公开（公告）日：2013-10-29
• Potential Antiinflammatory Agents. III. Syntheses of 1-Substituted 6-Chloro-5-cyclohexylindans as Related Compounds of 6-Chloro-5-cyclohexylindan-1-carboxylic Acid (TAI-284)
  作者：SHUNSAKU NOGUCHI、MIKIHIKO OBAYASHI、SHOJI KISHIMOTO、MASAYUKI IMANISHI

  DOI：10.1248/cpb.22.537

  日期：——

  Some 1-substituted 6-chloro-5-cyclohexylindans : 6-chloro-5-cyclohexyl-1-hydroxy-methylcarbonylindan (5), 1-acetyl-6-chloro-5-cyclohexyl-1-indanol (10), 5-[(6-chloro-5-cyclohexylindan)-1-yl] tetrazole (13) and 6-chloro-5-cyclohexyl-1-methylindan-1-carboxylic acid (14), were prepared as related compounds of 6-chloro-5-cyclohexylindan-1-carboxylic acid (TAI-284) (1), a potent nonsteroidal antiinflammatory agent. During this work an interesting rearrangement from the acetate (4) of 5 to 3-acetyl-5-chloro-6-cyclohexylindene (6) by acetic acid treatment was discovered and the mechanism of this reaction was proposed.

  一些 1-取代的 6-氯-5-环己基茚满：6-氯-5-环己基-1-羟甲基碳基茚满(5)、1-乙酰基-6-氯-5-环己基-1-茚满醇(10)、5-[(6-氯-5-环己基茚满)-1-基]四氮唑(13)和 6-氯-5-环己基-1-甲基茚满-1-羧酸(14)、制备了 6-氯-5-环己基茚满-1-羧酸（TAI-284）（1）的相关化合物，TAI-284 是一种有效的非甾体抗炎剂。在这项工作中，发现了一种有趣的重排反应，即通过乙酸处理，从 5 的乙酸酯 (4) 到 3-乙酰基-5-氯-6-环己基茚 (6)，并提出了这一反应的机理。