2-[(3-硝基苯基)甲基]丙二酸 | 7151-20-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 2-[(3-硝基苯基)甲基]丙二酸
• 英文名称: (3-nitro-benzyl)-malonic acid
• 英文别名: (3-Nitro-benzyl)-malonsaeure；(3-Nitrobenzyl)propanedioic acid；2-[(3-nitrophenyl)methyl]propanedioic acid
• CAS: 7151-20-4
• 化学式: C₁₀H₉NO₆
• 分子量: 239.185
• InChiKey: FGLDMXBKDAHVHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(3-硝基苯基)甲基]丙二酸 生成 3-(3-硝基苯基)丙酸
  参考文献：
  名称：

  Gulland et al., Journal of the Chemical Society, 1929, p. 1674

  摘要：

  DOI：
• 作为产物：
  描述：

  (3-nitro-benzyl)-malonic acid dimethyl ester 在 氨 作用下， 生成 2-[(3-硝基苯基)甲基]丙二酸
  参考文献：
  名称：

  Baker; Eccles, Journal of the Chemical Society, 1927, p. 2129

  摘要：

  DOI：

文献信息

• Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor
  申请人：Laboratorios Almirall, S.A.

  公开号：EP2096105A1

  公开（公告）日：2009-09-02

  The present invention provides a compound of formula (I): wherein: R1 is a group selected from -CH2OH,-NHCOH and R2 is a hydrogen atom; or R1 together with R2 form the group -NHC(O)CH=CH-, wherein the nitrogen atom is bound to the carbon atom in the phenyl ring holding R1 and the carbon atom is bound to the carbon atom in the phenyl ring holding R2, R3a and R3b are independently selected from the group consisting of hydrogen atoms and C1-4 alkyl groups n is an integer selected from 0 to 6, R4 is selected from the group consisting of an optionally substituted monocyclic or polycyclic C3-10 cycloalkyl group, an optionally substituted monocyclic C5-10 aryl group and, a methyl group which is substituted with one or more substituents selected from C5-10 aryl and C5-10 aryloxy groups, wherein the monocyclic or polycyclic C3-10 cycloalkyl and the monocyclic C5-10 aryl groups independently are optionally substituted with one or more substituents selected from halogen atoms, C1-4 alkyl, C1-4 alkoxy, C5-10 aryl and C5-10 aryloxy groups, or a pharmaceutically-acceptable salt or solvate or stereoisomer thereof.

  本发明提供了一种化合物，其化学式为（I）：其中：R1是从-CH2OH，-NHCOH和R2是氢原子中选择的一个基团；或者R1与R2一起形成-NHC(O)CH=CH-基团，其中氮原子与持有R1的苯环中的碳原子结合，碳原子与持有R2的苯环中的碳原子结合，R3a和R3b分别从氢原子和C1-4烷基组成的基团中独立选择n是从0到6选择的整数，R4从可选择的经取代的单环或多环C3-10环烷基组、可选择的经取代的单环C5-10芳基组以及一个用一个或多个从C5-10芳基和C5-10芳氧基组中选择的取代基取代的甲基组中选择，其中单环或多环C3-10环烷基和单环C5-10芳基组可以独立地用一个或多个从卤原子、C1-4烷基、C1-4烷氧基、C5-10芳基和C5-10芳氧基组中选择的取代基取代，或其药用可接受的盐、溶剂或其立体异构体。
• NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2172450B9

  公开（公告）日：2014-10-08
• DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR
  申请人：Almirall, S.A.

  公开号：EP2254860A1

  公开（公告）日：2010-12-01
• US8461209B2
  申请人：——

  公开号：US8461209B2

  公开（公告）日：2013-06-11
• [EN] DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR<br/>[FR] DÉRIVÉS DE 4-(2-AMINO-1-HYDROXYÉTHYL)PHÉNOL COMME AGONISTES DU RÉCEPTEUR ADRÉNERGIQUE B2
  申请人：ALMIRALL SA

  公开号：WO2009106351A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula (I): wherein: R1 is a group selected from -CH2OH1-NHCOH and R2 is a hydrogen atom; or R1 together with R2 form the group -NHC(O)CH=CH-, wherein the nitrogen atom is bound to the carbon atom in the phenyl ring holding R1 and the carbon atom is bound to the carbon atom in the phenyl ring holding R2, R3a and R3b are independently selected from the group consisting of hydrogen atoms and C1-4 alkyl groups n is an integer selected from O to 6, R4 is selected from the group consisting of an optionally substituted monocyclic or polycyclic C3-10 cycloalkyl group, an optionally substituted monocyclic C5-10 aryl group and, a methyl group which is substituted with one or more substituents selected from C5-1O aryl and C5-10 aryloxy groups, wherein the monocyclic or polycyclic C3-10 cycloalkyl and the monocyclic C5-10 aryl groups independently are optionally substituted with one or more substituents selected from halogen atoms, C1-4 alkyl, C1-4 alkoxy, C5-10 aryl and C5-10 aryloxy groups, or a pharmaceutically-acceptable salt or solvate or stereoisomer thereof.