3-(3-Trifluoromethyl-phenyl)-pyridin-2-ylamine | 163563-03-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(3-Trifluoromethyl-phenyl)-pyridin-2-ylamine
• 英文别名: 3-[3-(Trifluoromethyl)phenyl]pyridin-2-amine
• CAS: 163563-03-9
• 化学式: C₁₂H₉F₃N₂
• mdl: MFCD18418407
• 分子量: 238.212
• InChiKey: DIBZSOPQHNUCJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (E,Z)-α-<3-(Dimethylamino)-2-propenylidene>-3-(trifluoromethyl)benzeneacetonitrile 在 氨 作用下， 以 甲醇 为溶剂， 反应 100.0h， 以29%的产率得到3-(3-Trifluoromethyl-phenyl)-pyridin-2-ylamine
  参考文献：
  名称：

  New Synthetic Routes to 3-, 5-, and 6-Aryl-2-chloropyridines

  摘要：

  The efficient synthesis of 3-, 5-, and 6-aryl-2-chloropyridines via the facile preparation of 5-(dimethyamino)aryl-substituted pentadienyl nitriles and cyclization with hydro chloric acid is described. This approach allows for the introduction of other electron-withdrawing substituents on the pyridine ring as well as the preparation of the desired unsubstituted arylpyridines. Some differences in the rates of cyclization of the pentadienyl nitriles as well as the yields of chloropyridines were observed that depended on the position and degree of substitution in the aryl substituent. The arylpentadienyl nitriles 5 and 6 could also be converted directly into the corresponding 2-aminopyridines.

  DOI：

  10.1021/jo00117a029

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF HIV<br/>[FR] COMPOSÉS POUR TRAITER LE VIH
  申请人：GILEAD SCIENCES INC

  公开号：WO2013006738A1

  公开（公告）日：2013-01-10

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明提供了如下式（I）的化合物或其盐，还提供了包含如下式（I）化合物的药物组合物，制备如下式（I）化合物的方法，用于制备如下式（I）化合物的中间体以及治疗Retroviridae病毒感染的治疗方法，包括由HIV病毒引起的感染。
• PI3 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Ni Zhi-Jie

  公开号：US20100075965A1

  公开（公告）日：2010-03-25

  Phosphatidylinositol (PI) 3 kinase inhibitor compounds, their pharmaceutically acceptable salts, and prodrugs thereof; compositions of the new compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of proliferative diseases characterized by the abnormal activity of growth factors, protein serine/threonine kinases, phospholipid kinases, G-protein coupled receptors, and phosphatases.

  磷脂酰肌醇（PI）3激酶抑制剂化合物及其药学上可接受的盐和前药；新化合物的组合物，可以单独使用或与至少一种其他治疗药物结合，与药学上可接受的载体；以及新化合物的用途，可以单独使用或与至少一种其他治疗药物结合，用于预防或治疗增殖性疾病，其特征是生长因子、蛋白质丝氨酸/苏氨酸激酶、磷脂酰肌醇激酶、G蛋白偶联受体和磷酸酶的异常活性。
• PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：NOVARTIS AG

  公开号：EP1989201A1

  公开（公告）日：2008-11-12
• [EN] PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE KINASE PI-3 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2007095588A1

  公开（公告）日：2007-08-23

  [EN] Phosphatidylinositol (PI) 3 kinase inhibitor compounds, their pharmaceutically acceptable salts, and prodrugs thereof; compositions of the new compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of proliferative diseases characterized by the abnormal activity of growth factors, protein serine/threonine kinases, phospholipid kinases, G-protein coupled receptors, and phosphatases.
  [FR] La présente invention concerne des composés inhibiteurs de la phosphatidylinositol (PI) 3 kinase, leurs sels pharmaceutiquement acceptables, et des promédicaments de ceux-ci; des compositions des nouveaux composés, seules ou en combinaison avec au moins un autre agent thérapeutique, avec un support pharmaceutiquement acceptable; et des utilisations des nouveaux composés, seuls ou en combinaison avec au moins un autre agent thérapeutique, dans la prophylaxie ou le traitement de maladies prolifératives caractérisées par l'activité anormale de facteurs de croissance, de protéine sérine/thréonine kinases, de kinases phospholipides, de récepteurs couplés aux protéines G, et de phosphatases.
• New Synthetic Routes to 3-, 5-, and 6-Aryl-2-chloropyridines
  作者：Robert Church、Ronald Trust、J. Donald Albright、Dennis Powell

  DOI：10.1021/jo00117a029

  日期：1995.6

  The efficient synthesis of 3-, 5-, and 6-aryl-2-chloropyridines via the facile preparation of 5-(dimethyamino)aryl-substituted pentadienyl nitriles and cyclization with hydro chloric acid is described. This approach allows for the introduction of other electron-withdrawing substituents on the pyridine ring as well as the preparation of the desired unsubstituted arylpyridines. Some differences in the rates of cyclization of the pentadienyl nitriles as well as the yields of chloropyridines were observed that depended on the position and degree of substitution in the aryl substituent. The arylpentadienyl nitriles 5 and 6 could also be converted directly into the corresponding 2-aminopyridines.