4-trifluoromethylcyclohexylamine | 1073266-01-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-trifluoromethylcyclohexylamine
• 英文别名: cis-4-(trifluoromethyl)cyclohexanamine
• CAS: 1073266-01-9
• 化学式: C₇H₁₂F₃N
• 分子量: 167.174
• InChiKey: YCBWLMWEQURJHX-OLQVQODUSA-N

物化性质

• 沸点：
  145.1±35.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.74
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

安全信息

• 危险等级：
  8/3

反应信息

• 作为反应物：
  描述：

  4-trifluoromethylcyclohexylamine 、 2,2,2-trichloroethyl (4-((5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl)amino)phenyl)carbamate 在 三乙胺 作用下， 以 乙腈 为溶剂， 以27 %的产率得到
  参考文献：
  名称：

  WO2023/107863

  摘要：

  公开号：
• 作为产物：
  描述：

  4-三氟甲基环己烷-1-酮 在 吡啶 、 lithium aluminium tetrahydride 、 盐酸羟胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 4-trifluoromethylcyclohexylamine
  参考文献：
  名称：

  锰配合物催化过氧化氢对脂肪族CH键的氧化：通过扭转效应指导选择性

  摘要：

  取代的N-环己基酰胺经过锰配合物催化的H 2 O 2的脂族C–H键氧化。反应受扭转作用指导，导致顺式-1,4-，反式-1,3-和顺式-1,2-环己二酰胺的位点选择性氧化。相应的非对映异构体在相同条件下不反应。竞争性氧化4-取代N-环己基酰胺的顺-反混合物可导致顺式异构体的定量转化，从而可以分离和连续转化反式异构体转变成具有出色的位点选择性和良好的对映选择性的致密官能化的氧化产物。

  DOI：

  10.1021/acs.orglett.8b00929

文献信息

• [EN] 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] 1H-BENZIMIDAZOLE-5-CARBOXAMIDES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010034796A1

  公开（公告）日：2010-04-01

  There are provided compounds of formula (I), wherein R1, R6, R8, Q2, Q3, Q3a, Q4, L and A have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation and/or cancer.

  提供了具有式（I）的化合物，其中R1、R6、R8、Q2、Q3、Q3a、Q4、L和A的含义如描述中所给，并且其药学上可接受的盐，这些化合物在治疗需要或期望抑制MAPEG家族成员活性的疾病方面是有用的，特别是在炎症和/或癌症的治疗中。
• 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents
  申请人：Pfau Roland

  公开号：US20110312935A1

  公开（公告）日：2011-12-22

  There are provided compounds of formula (I), wherein R 1 , R 6 , R 8 , Q 2 , Q 3 , Q 3a , Q 4 , L and A have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation and/or cancer.

  提供了式（I）的化合物，其中R1，R6，R8，Q2，Q3，Q3a，Q4，L和A的含义如描述中所述，并且其药学上可接受的盐。这些化合物在治疗需要抑制MAPEG家族成员活性的疾病，尤其是在治疗炎症和/或癌症方面非常有用。
• NEW COMPOUNDS
  申请人：PFAU Roland

  公开号：US20120196897A1

  公开（公告）日：2012-08-02

  The present invention relates to compounds of general formula I in which A, L, M, Q 2 , Q 3 , Q 4 , R 1 , R 5 , R a , R b , R c , W, X, Y, Z 1 , Z 2 , Z 3 are defined in the description, the salts thereof, particularly the physiologically acceptable salts thereof. The compounds are of potential utility in the treatment and/or prevention of inflammatory diseases and associated conditions, in particular, in the treatment and/or prevention of pain. The invention also relates to the use of such compounds as medicaments, to pharmaceutical compositions containing them, and to their preparation.

  本发明涉及一般式I的化合物，其中A，L，M，Q2，Q3，Q4，R1，R5，Ra，Rb，Rc，W，X，Y，Z1，Z2，Z3在描述中定义，其盐，特别是其生理上可接受的盐。这些化合物在治疗和/或预防炎症性疾病和相关病症方面具有潜在的用途，特别是在治疗和/或预防疼痛方面。本发明还涉及将这些化合物用作药物、包含它们的制药组合物以及它们的制备。
• Discovery and Optimization of a Compound Series Active against <i>Trypanosoma cruzi</i>, the Causative Agent of Chagas Disease
  作者：Justin R. Harrison、Sandipan Sarkar、Shahienaz Hampton、Jennifer Riley、Laste Stojanovski、Christer Sahlberg、Pia Appelqvist、Jessey Erath、Vinodhini Mathan、Ana Rodriguez、Marcel Kaiser、Dolores Gonzalez Pacanowska、Kevin D. Read、Nils Gunnar Johansson、Ian H. Gilbert

  DOI：10.1021/acs.jmedchem.9b01852

  日期：2020.3.26

  Chagas disease is caused by the protozoan parasite Trypanosoma cruzi. It is endemic in South and Central America and recently has been found in other parts of the world, due to migration of chronically infected patients. The current treatment for Chagas disease is not satisfactory, and there is a need for new treatments. In this work, we describe the optimization of a hit compound resulting from the phenotypic screen of a library of compounds against T. cruzi. The compound series was optimized to the level where it had satisfactory pharmacokinetics to allow an efficacy study in a mouse model of Chagas disease. We were able to demonstrate efficacy in this model, although further work is required to improve the potency and selectivity of this series.
• An Improved Synthesis of 2-, 3-, and 4-(Trifluoromethyl)cyclohexylamines
  作者：Oleg Lukin、Pavel Mykhailiuk、Anatoliy Alekseenko、Klukovsky Denis、Oleg Shishkin、Yurii Pustovit

  DOI：10.1055/s-0032-1316985

  日期：2012.9

  An improved synthesis of 2-, 3-, and 4-trifluoromethyl-cyclohexylamines on a multigram scale via PtO2-mediated hydrogenation of the corresponding trifluoromethylanilines in trifluoroacetic acid at room temperature under atmospheric pressure is reported. The hydrogenation occurred with a remarkable stereo-selectivity favoring the formation of cis-isomers.