{5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-indan-2-yl}-(4-methyl-piperazin-1-yl)-methanone | 1391602-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: {5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-indan-2-yl}-(4-methyl-piperazin-1-yl)-methanone
• 英文别名: [5-[[4-(4-chloropyridin-2-yl)pyrimidin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]-(4-methylpiperazin-1-yl)methanone
• CAS: 1391602-54-2
• 化学式: C₂₄H₂₅ClN₆O
• 分子量: 448.955
• InChiKey: WZFWZTLOOHIYEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-{5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1,3-dihydro-isoindol-2-yl}-ethyl)-3-methyl-imidazolidin-2-one 、 {5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-indan-2-yl}-(4-methyl-piperazin-1-yl)-methanone 、 5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-7-methyl-1H-indole-2-carboxylic acid dimethylamide 、 6-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1H-indole-2-carboxylic acid 、 6-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1-methyl-1H-indole-2-carboxylic acid 、 5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1-methyl-1H-indole-2-carboxylic acid 、 7-chloro-5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1H-indole-2-carboxylic acid dimethylamide 、 5-[4-(4-chloro-pyridin-2-yl)-pyrimidin-2-ylamino]-1H-indole-2-carboxylic acid 生成 [4-(4-chloro-pyridin-2-yl)-pyrimidin-2-yl]-(1,3-dihydro-isobenzofuran-5-yl)-amine
  参考文献：
  名称：

  SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS

  摘要：

  本发明涉及一种新的取代的式1的吡啶基嘧啶类化合物，其中环A是一种五元饱和或不饱和的碳环，可以包含一个、两个或三个杂原子，每个杂原子独立地从N、S和O组成的群体中选择，其中R1、R2、R4、R3、R5和R6如权利要求1所定义，并且环A还可以被一种或两种进一步的取代基所取代，以及上述化合物的药学上可接受的盐、对映体、外消旋体、水合物和溶剂化物。

  公开号：

  US20130023502A1

文献信息

• [EN] SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS<br/>[FR] PYRIDINYL-PYRIMIDINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012101013A1

  公开（公告）日：2012-08-02

  The invention relates to new substituted pyridinyl-pyrimidines of formula 1 wherein ring A is a five-membered saturated or unsaturated carbocyclic ring which optionally comprises one, two or three heteroatoms each independently from each other selected from the group N, S and O, wherein R1, R2, R4, R3, R5 and R6 are defined as in claim 1 and wherein ring A is further optionally substituted by one or two further substituents and the pharmaceutically acceptable salts, diastereomers, enantiomers, racemates, hydrates and solvates of the aforementioned compounds.

  该发明涉及公式1中的新取代吡啶基嘧啶，其中环A是一个五元饱和或不饱和碳环，可选地包含一个、两个或三个异原子，每个异原子独立地选自N、S和O组，其中R1、R2、R4、R3、R5和R6如权利要求1中所定义，环A进一步可选地被一个或两个进一步取代基取代，以及上述化合物的药学上可接受的盐、二对映体、对映体、消旋体、水合物和溶剂化合物。
• Amination of Aryl Alcohol Derivatives
  申请人：Garg Neil K.

  公开号：US20130289270A1

  公开（公告）日：2013-10-31

  Embodiments of the invention provide methods and materials for chemical cross-coupling reactions that utilize aryl alcohol derivatives as cross-coupling partners. Embodiments of the invention include methods for the amination of aryl sulfamates and carbamates, which are attractive cross-coupling partners, particularly for use in multistep synthesis. Illustrative embodiments include versatile means to use simple derivatives of phenol as precursors to polysubstituted aryl amines, as exemplified by a concise synthesis of the antibacterial drug linezolid.

  本发明的实施例提供了一种利用芳基醇衍生物作为交叉偶联反应的偶联反应方法和材料。本发明的实施例包括芳基磺酸酯和氨基甲酸酯的氨化方法，它们是有吸引力的交叉偶联反应伙伴，特别适用于多步合成。说明性实施例包括使用苯酚的简单衍生物作为多取代芳基胺的前体的多种方法，如紧凑的合成抗菌药物利奈唑胺的方法。
• US8772305B2
  申请人：——

  公开号：US8772305B2

  公开（公告）日：2014-07-08
• US9567307B2
  申请人：——

  公开号：US9567307B2

  公开（公告）日：2017-02-14
• [EN] AMINATION OF ARYL ALCOHOL DERIVATIVES<br/>[FR] AMINATION DE DÉRIVÉS D'ALCOOL ARYLIQUE
  申请人：UNIV CALIFORNIA

  公开号：WO2012094622A2

  公开（公告）日：2012-07-12

  Embodiments of the invention provide methods and materials for chemical cross-coupling reactions that utilize aryl alcohol derivatives as cross-coupling partners. Embodiments of the invention include methods for the amination of aryl sulfamates and carbamates, which are attractive cross-coupling partners, particularly for use in multistep synthesis. Illustrative embodiments include versatile means to use simple derivatives of phenol as precursors to polysubstituted aryl amines, as exemplified by a concise synthesis of the antibacterial drug linezolid.