2-trifluoromethoxyphenylacetyl chloride | 929612-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-trifluoromethoxyphenylacetyl chloride
• 英文别名: 2-Trifluoromethoxyphenylacetyl chloride；2-[2-(trifluoromethoxy)phenyl]acetyl chloride
• CAS: 929612-78-2
• 化学式: C₉H₆ClF₃O₂
• 分子量: 238.594
• InChiKey: ZSNURYQJLKIQSY-UHFFFAOYSA-N

物化性质

• 沸点：
  219.2±40.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-trifluoromethoxyphenylacetyl chloride 在 sodium hydride 、 肼 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3-(3-trifluoromethoxybenzyl)-5-(3-trifluoromethoxyphenyl)-1H-pyrazolo[4,3-c][1,8]naphthyridin-4(5H)-one
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF

  摘要：

  公开号：

  EP1925617B1
• 作为产物：
  描述：

  2-(三氟甲氧基)苯乙酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.83h， 生成 2-trifluoromethoxyphenylacetyl chloride
  参考文献：
  名称：

  Identification of 4-amino-2-cyclohexylaminoquinazolines as metabolically stable melanin-concentrating hormone receptor 1 antagonists

  摘要：

  The optimization of the distance between two key pharmacophore features within our first hit compounds la and 2a led to the identification of a new class of potent non-peptidic antagonists for the MCH-R1, based around 4-amino-2-cyclohexylamino-quinazolines. In particular, ATC0065 (2c), N-2-[cis-4-({2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]-N-4,N-4-dimethylquinazoline-2,4-diamine dihydrochloride, bound with high affinity to the MCH-R1 (IC50 value of 16 nM) and showed good metabolic stability in liver microsomes from human and rat. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.12.052

文献信息

• Heterocycle Compound, and Production Process and Application Thereof
  申请人：Kanazawa Hashime

  公开号：US20090131467A1

  公开（公告）日：2009-05-21

  The compound of the present invention is a novel compound which has a specific heterocycle skeleton, particularly a pyrazolonaphthyridine or pyrazoloquinoline skeleton having an organic group (e.g., a carbocycle and a heterocycle) bonding through an alkylene group at 3-position and a carbocycle bonding at 5-position and has a phosphodiesterase IV inhibitory activity. At least one of the ring (the carbocycle or the heterocycle) bonding at 3-position of the pyrazolonaphthyridine skeleton and the carbocycle bonding at 5-position may have a halogenated alkyl group and/or a halogenated alkoxy group as a substituent. Such a compound or a salt thereof is useful as a phosphodiesterase IV inhibitor and the like. According to the present invention, a novel compound having a high phosphodiesterase IV inhibitory effect can be provided.

  本发明的化合物是一种新型化合物，具有特定的杂环骨架，特别是具有通过3位的烷基与5位的碳环键合的有机基团（例如，碳环和杂环）的吡唑萘啶或吡唑喹啉骨架，并具有磷酸二酯酶IV抑制活性。在吡唑萘啶骨架的3位键合的环（碳环或杂环）和5位键合的碳环中，至少有一个可以具有卤代烷基和/或卤代烷氧基作为取代基。这种化合物或其盐可用作磷酸二酯酶IV抑制剂等。根据本发明，可以提供一种具有高磷酸二酯酶IV抑制效果的新型化合物。
• Synephrine derivatives useful as anti-inflammatory agents
  申请人：BERGHE Wim VANDEN

  公开号：US20090029999A1

  公开（公告）日：2009-01-29

  This invention provides compounds having the structural formula: wherein: R 1 is an acyl or sulfonyl group, R 2 is an acyl group selected from the group consisting of acyl groups derived from cycloaliphatic, aromatic or heterocyclic monocarboxylic acids, imidazolylcarbonyl and triazolylcarbonyl, and R 3 is hydrogen or an amino-protecting group, a stereoisomer thereof, a solvate thereof, or a salt thereof, being useful as anti-inflammatory agents and anti-cancer agents.
• US8039501B2
  申请人：——

  公开号：US8039501B2

  公开（公告）日：2011-10-18
• US8193356B2
  申请人：——

  公开号：US8193356B2

  公开（公告）日：2012-06-05
• Identification of 4-amino-2-cyclohexylaminoquinazolines as metabolically stable melanin-concentrating hormone receptor 1 antagonists
  作者：Kosuke Kanuma、Katsunori Omodera、Mariko Nishiguchi、Takeo Funakoshi、Shigeyuki Chaki、Yasuko Nagase、Izumi Iida、Jun-ichi Yamaguchi、Graeme Semple、Thuy-Anh Tran、Yoshinori Sekiguchi

  DOI：10.1016/j.bmc.2005.12.052

  日期：2006.5

  The optimization of the distance between two key pharmacophore features within our first hit compounds la and 2a led to the identification of a new class of potent non-peptidic antagonists for the MCH-R1, based around 4-amino-2-cyclohexylamino-quinazolines. In particular, ATC0065 (2c), N-2-[cis-4-(2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]-N-4,N-4-dimethylquinazoline-2,4-diamine dihydrochloride, bound with high affinity to the MCH-R1 (IC50 value of 16 nM) and showed good metabolic stability in liver microsomes from human and rat. (c) 2006 Elsevier Ltd. All rights reserved.