(1-(4-trifluoromethyl)benzoyl)piperidin-4-one | 442126-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (1-(4-trifluoromethyl)benzoyl)piperidin-4-one
• 英文别名: 1-(4-trifluoromethylbenzoyl)piperidin-4-one；1-[4-(trifluoromethyl)benzoyl]piperidin-4-one
• CAS: 442126-60-5
• 化学式: C₁₃H₁₂F₃NO₂
• mdl: MFCD09946990
• 分子量: 271.239
• InChiKey: MYFXISVUGZBTSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-(4-trifluoromethyl)benzoyl)piperidin-4-one 、 苯胺 在 溶剂黄146 、 三乙酰氧基硼氢化钠 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 生成 (4-苯基氨基哌啶-1-基)-(4-三氟甲基苯基)甲酮
  参考文献：
  名称：

  EP2060563

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氧代哌啶酮盐酸盐 、 4-三氟甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (1-(4-trifluoromethyl)benzoyl)piperidin-4-one
  参考文献：
  名称：

  EP2060563

  摘要：

  公开号：

文献信息

• DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER
  申请人：Amewu Richard

  公开号：US20100113436A1

  公开（公告）日：2010-05-06

  A compound having the formula (I) wherein ring A represents a substituted or unsubstituted monocyclic or multicyclic ring; m=any positive integer; n=0-5; X=CH and Y=—C(O)NR 1 R 2 , —NR 1 R 2 or —S(O) 2 R 4 , where R 1 , R 2 and R 4 are each individually selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring, or any combination thereof, or R 1 and R 2 are linked so as to form part of a substituted or unsubstituted heterocyclic ring, or X=N and Y=—S(O) 2 R 3 or —C(O)R 3 , where R 3 is selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring or any combination thereof.

  化合物的式子为（I），其中环A代表取代或未取代的单环或多环环；m=任何正整数；n=0-5；X=CH，Y=—C（O）NR1R2，—NR1R2或—S（O）2R4，其中R1，R2和R4分别从H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的胺基，取代或未取代的碳环，取代或未取代的杂环，或任何这些的组合中单独选择，或R1和R2被连接起来形成取代或未取代的杂环的一部分，或X=N且Y=—S（O）2R3或—C（O）R3，其中R3从H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的胺基，取代或未取代的碳环，取代或未取代的杂环，或任何这些的组合中选择。
• CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE
  申请人：Ozawa Michinori

  公开号：US20100179118A1

  公开（公告）日：2010-07-15

  The present invention relates to a compound represented by the following formula (I), which is useful as an antiallergic agent and/or an anti-inflammatory agent, or a physiologically acceptable salt thereof and the like: wherein R 1 and R 2 are the same or different and each is an optionally substituted aryl group and the like, R 3 is a hydrogen atom, a C 1-6 alkyl group and the like, R 4 and R 5 are the same or different and each is a hydrogen atom, a halogen atom, a hydroxy group, a C 1-6 alkyl group and the like, X is a single bond or —C(R 6 )(R 7 )—, R 6 and R 7 are the same or different and each is a hydrogen atom, a halogen atom, an optionally substituted C 1-6 alkyl group and the like, or R 6 and R 7 optionally form, together with the carbon atom bonded thereto, an optionally substituted C 3-8 cycloalkyl group and the like, ring group A is an azetidin-1-yl group and the like, m is 0, 1 or 2, and n is 0, 1 or 2.

  本发明涉及以下式（I）所表示的化合物或其生理上可接受的盐等，其可用作抗过敏剂和/或抗炎剂： 其中，R1和R2相同或不同，每个都是可选取的取代芳基基团等；R3是氢原子、C1-6烷基基团等；R4和R5相同或不同，每个都是氢原子、卤原子、羟基、C1-6烷基基团等；X是单键或—C(R6)(R7)—；R6和R7相同或不同，每个都是氢原子、卤原子、可选取的取代C1-6烷基基团等，或R6和R7可选择性地与与其相连的碳原子一起形成可选取的取代C3-8环烷基团等；环基团A是氮杂环丙烷基团等；m为0、1或2；n为0、1或2。
• DISPIRO TETRAOXANE COMPOUNDS
  申请人：Amewu Richard

  公开号：US20130023551A1

  公开（公告）日：2013-01-24

  A compound having the formula (I) wherein ring A represents a substituted or unsubstituted monocyclic or multicyclic ring; m=any positive integer; n=0-5; X═CH and Y═—C(O)NR 1 R 2 , —NR 1 R 2 or —S(O) 2 R 4 , where R 1 , R 2 and R 4 are each individually selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring, or any combination thereof, or R 1 and R 2 are linked so as to form part of a substituted or unsubstituted heterocyclic ring, or X═N and Y═—S(O) 2 R 3 or —C(O)R 3 , where R 3 is selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring or any combination thereof.

  化合物的化学式为（I），其中环A代表取代或未取代的单环或多环环；m = 任何正整数；n = 0-5；X = CH，Y = -C（O）NR1R2，-NR1R2或-S（O）2R4，其中R1，R2和R4分别选自H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的胺基，取代或未取代的碳环，取代或未取代的杂环，或任何组合，或R1和R2连接成为取代或未取代的杂环的一部分；或X = N，Y = -S（O）2R3或-C（O）R3，其中R3选自H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的胺基，取代或未取代的碳环，取代或未取代的杂环或任何组合。
• WO2008/38030
  申请人：——

  公开号：——

  公开（公告）日：——
• US4499100A
  申请人：——

  公开号：US4499100A

  公开（公告）日：1985-02-12