{8-chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy}acetic acid methyl ester | 1071496-74-6

• 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: {8-chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy}acetic acid methyl ester
• 英文别名: (8-Chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy)acetic acid methyl ester；methyl 2-[[8-chloro-3-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
• CAS: 1071496-74-6
• 化学式: C₂₅H₂₆ClNO₅
• 分子量: 455.938
• InChiKey: KRSFNNMJIMQCOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  、 {8-chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy}acetic acid methyl ester 、 氟里昂-22 生成 {8-chloro-2-difluoromethoxy-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methylquinolin-5-yloxy}acetic acid methyl ester
  参考文献：
  名称：

  Quinolines and their therapeutic use

  摘要：

  式(I)的化合物是CRTH2配体，在治疗哮喘和COPD等疾病中有用，其中：R1是卤素或氰基；R2是氢或甲基；R3和R4独立地是—OR6、C1-C6烷基或C3-C6环烷基，后两种基团可选择地被一个或多个卤素原子取代；R5是氢或卤素；R6是C1-C6烷基或C3-C6环烷基，其中任意一个都可以选择地被一个或多个卤素原子取代；X是—CH2—、—S—或—O—；Y和Y1中的一个是氢，另一个是OR6、—C(═O)R7、NR8SO2R6或在说明书中提到的选定的杂环基团；R6、R7和R8如说明书所定义。

  公开号：

  US08173812B2
• 作为产物：
  描述：

  、 8-chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-5-hydroxy-4-methyl-1H-quinolin-2-one 、 溴乙酸甲酯 生成 {8-chloro-3-[4-(2,2-dimethylpropionyl)benzyl]-4-methyl-2-oxo-1,2-dihydroquinolin-5-yloxy}acetic acid methyl ester
  参考文献：
  名称：

  Quinolines and their therapeutic use

  摘要：

  式(I)的化合物是CRTH2配体，在治疗哮喘和COPD等疾病中有用，其中：R1是卤素或氰基；R2是氢或甲基；R3和R4独立地是—OR6、C1-C6烷基或C3-C6环烷基，后两种基团可选择地被一个或多个卤素原子取代；R5是氢或卤素；R6是C1-C6烷基或C3-C6环烷基，其中任意一个都可以选择地被一个或多个卤素原子取代；X是—CH2—、—S—或—O—；Y和Y1中的一个是氢，另一个是OR6、—C(═O)R7、NR8SO2R6或在说明书中提到的选定的杂环基团；R6、R7和R8如说明书所定义。

  公开号：

  US08173812B2

文献信息

• Quinolines and Their Therapeutic Use
  申请人：Montana John Gary

  公开号：US20100144787A1

  公开（公告）日：2010-06-10

  Compounds of formula (I) are CRTH2 ligands, useful in the treatment of, for example, asthma and COPD wherein: R 1 is halogen or cyano; R 2 is hydrogen or methyl; R 3 and R 4 are independently —OR 6 , C 1 -C 6 alkyl or C 3 -C 6 cycloalkyl, the latter two groups being optionally substituted by one or more halogen atoms; R 5 is hydrogen or halogen; R 6 is C 1 C 6 alkyl or C 3 -C 6 cycloalkyl, either of which being optionally substituted by one or more halogen atoms; X is —CH 2 —, —S—, or —O—; one of Y and Y 1 is hydrogen and the other is OR 6 , —C(═O)R 7 , NR 8 SO 2 R 6 or a heterocyclic group selected from those referred to in the specification; and R 6 , R 7 and R 8 are as defined in the specification.

  式(I)的化合物是CRTH2配体，在治疗哮喘和COPD等疾病中有用，其中：R1为卤素或氰基；R2为氢或甲基；R3和R4分别为—OR6、C1-C6烷基或C3-C6环烷基，后两个基团可选地被一个或多个卤素原子取代；R5为氢或卤素；R6为C1-C6烷基或C3-C6环烷基，其中任意一个可选地被一个或多个卤素原子取代；X为—CH2—、—S—或—O—；Y和Y1中的一个为氢，另一个为OR6、—C(═O)R7、NR8SO2R6或从规范中选择的杂环基团；R6、R7和R8如规范中所定义。
• TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105572A1

  公开（公告）日：2015-04-16

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明涉及一种过渡金属配合物，该配合物可作为催化组分，在乙烯三聚反应中，即使在高温条件下，也能高效地选择性地生产1-己烯。所述过渡金属配合物由下述一般式（1）表示，其中M1表示4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105237A1

  公开（公告）日：2015-04-16

  Disclosed is a catalytic component for trimerization containing a transition metal complex with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Also disclosed is a trimerization catalyst that is obtained by bringing an olefin copolymerization catalyst and an activating co-catalytic component into contact with one another. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明揭示了一种催化三聚化的催化成分，其中包含一种过渡金属配合物，通过乙烯三聚化反应，即使在高温条件下，也能高效地选择性地生产1-己烯。还揭示了一种三聚化催化剂，其是通过使烯烃共聚催化剂和活化共催化成分相互接触而获得的。所述过渡金属配合物由下述一般式（1）表示，其中M1表示第4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND
  申请人：Sumitomo Chemical Co., Ltd

  公开号：EP2484685B1

  公开（公告）日：2017-11-01
• QUINOLINES AND THEIR THERAPEUTIC USE
  申请人：Argenta Oral Therapeutics Limited

  公开号：EP2139881A1

  公开（公告）日：2010-01-06