2-(4-溴-2-硝基苯基)丙二酸二甲酯 | 100487-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-溴-2-硝基苯基)丙二酸二甲酯
• 英文名称: 2-(4-bromo-2-nitro-phenyl)malonic acid dimethyl ester
• 英文别名: dimethyl 2-(4-bromo-2-nitrophenyl)malonate；1,3-Dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate；dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate
• CAS: 100487-81-8
• 化学式: C₁₁H₁₀BrNO₆
• 分子量: 332.107
• InChiKey: NJAONFWUEGWOPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2917399090

反应信息

• 作为反应物：
  描述：

  2-(4-溴-2-硝基苯基)丙二酸二甲酯 在 盐酸 作用下， 以 水 为溶剂， 以76 %的产率得到2-硝基-4-溴苯乙酸
  参考文献：
  名称：

  通过 SmI2 促进的 2-硝基苯乙酸还原合成羟吲哚

  摘要：

  首次报道了 SmI2 促进 2-硝基苯乙酸还原为羟吲哚的过程。该反应涉及硝基的还原，通过 N-O 键断裂并与邻近的羧基直接缩合进行。从合成的角度来看，开发了一种在温和中性条件下合成羟吲哚的新方法。

  DOI：

  10.1055/a-2175-1008
• 作为产物：
  描述：

  2,5-二溴硝基苯 、 丙二酸二甲酯 在 sodium hydride 作用下， 生成 2-(4-溴-2-硝基苯基)丙二酸二甲酯
  参考文献：
  名称：

  A General Oxindole Synthesis

  摘要：

  一种针对吲哚-2(3H)-酮（氧吲哚）的整体合成方法被开发，该方法基于二甲基马来酸酯与可商业获得的卤代硝基苯的加成。这条路线相较于许多其他氧吲哚合成方法的优势在于对芳香环取代模式的区域化学控制。

  DOI：

  10.1055/s-1993-25790

文献信息

• 3-heteroarylidene-2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06486185B1

  公开（公告）日：2002-11-26

  The present invention relates to novel 3-heteroarylidene-2-indolinone compounds and physiologically acceptable salts thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-杂环亚烯基-2-吲哚酮化合物及其生理上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Formulations for pharmaceutical agents ionizable as free acids or free bases
  申请人：Shenoy Narmada

  公开号：US06878733B1

  公开（公告）日：2005-04-12

  The present invention features formulations of indolinones which compounds are ionizable as free acids or free bases. The formulation is suitable for parenteral or oral administration, wherein the formulation comprises an ionizable substituted indolinone, and a pharmaceutically acceptable carrier therefor. The term “ionizable substituted indolinone” includes pyrrole substituted 2-indolinones which, in addition to being otherwise optionally substituted on both the pyrrole and 2-indolinone portions of the compound, are necessarily substituted on the pyrrole moiety with one or more hydrocarbon chains which themselves are substituted with at least one polar group. The formulations and the compounds themselves are useful for the treatment of protein kinase related disorders as discussed herein.

  本发明涉及吲哚酮的配方，这些化合物作为游离酸或游离碱是可离子化的。该配方适用于静脉或口服给药，其中配方包括可离子化的取代吲哚酮和其药用可接受载体。术语“可离子化的取代吲哚酮”包括吡咯取代的2-吲哚酮，除了在化合物的吡咯和2-吲哚酮部分上可选择地被取代外，必须在吡咯基上用一个或多个烃链取代，这些烃链本身被至少一个极性基团取代。如本文所述，这些配方和化合物本身对于治疗蛋白激酶相关疾病是有用的。
• N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and
  申请人：Pfizer Inc.

  公开号：US04569942A1

  公开（公告）日：1986-02-11

  Certain 2-oxindole-1-carboxamide compounds having an acyl substituent at the 3-position, and also further substituted on the carboxamide nitrogen by an alkyl, cycloalkyl, phenyl or substituted phenyl group, are inhibitors of the cyclooxygenase (CO) and lipoxygenase (LO) enzymes, and are useful as analgesic and antiinflammatory agents in mammalian subjects. These 2-oxindole-1-carboxamide compounds are of particular value for ameliorating pain in human patients recovering from surgery or trauma, and alleviating the symptoms of chronic diseases, such as rheumatoid arthritis and osteoarthritis, in human subjects. Certain 2-oxindole-1-carboxamide compounds unsubstituted at C-3, but having a substituent on the carboxamide nitrogen, are useful as intermediates to the analgesic and antiinflammatory agents of the invention.

  某些在3位上具有酰基取代基，并且在羧酰胺氮上进一步被烷基、环烷基、苯基或取代苯基基团取代的2-噁嗪-1-羧酰胺化合物是环氧合酶（CO）和脂氧合酶（LO）酶的抑制剂，并且在哺乳动物主体中作为镇痛和抗炎药物是有用的。这些2-噁嗪-1-羧酰胺化合物对于缓解人类手术或创伤康复患者的疼痛以及减轻人类主体中慢性疾病的症状，如类风湿性关节炎和骨关节炎，具有特殊价值。某些在C-3位未取代的2-噁嗪-1-羧酰胺化合物，但在羧酰胺氮上具有取代基，作为本发明的镇痛和抗炎药物的中间体是有用的。
• 1,3-disubstituted 2-oxindoles as analgesic and anti-inflammatory agents
  申请人：Pfizer Inc.

  公开号：US04721712A1

  公开（公告）日：1988-01-26

  Certain 2-oxindole-1-carboxamide compounds having an acyl substituent at the 3-position, and also on the carboxamide nitrogen atom, are inhibitors of the cyclooxygenase (CO) and lipoxygenase (LO) enzymes, and are useful as analgesic agents and anti-inflammatory agents in mammalian subjects. These 2-oxindole-1-carboxamide compounds are of particular value for acute administration for ameliorating pain in human patients recovering from surgery or trauma, and also for chronic administration to human subjects for alleviating the symptoms of chronic diseases, such as rheumatoid arthritis and osteoarthritis. Certain 2-oxindole-1-carboxamide compounds unsubstituted at C-3, but having an acyl substituent on the carboxamide nitrogen atom, are useful as intermediates to the aforementioned analgesic and anti-inflammatory agents.

  某些在3位上具有酰基取代基，并且在羧酰胺氮原子上也有取代基的2-噁嗪-1-羧酰胺化合物是环氧合酶（CO）和脂氧合酶（LO）酶的抑制剂，并且在哺乳动物体内作为镇痛剂和抗炎剂具有用途。这些2-噁嗪-1-羧酰胺化合物对于急性给药用于缓解手术或创伤后人类患者的疼痛，以及对于慢性给药用于减轻慢性疾病症状，如类风湿性关节炎和骨关节炎的人类患者，具有特殊价值。某些在C-3位未取代的2-噁嗪-1-羧酰胺化合物，但在羧酰胺氮原子上具有酰基取代基，可作为上述镇痛剂和抗炎剂的中间体。
• Analgesic and antiinflammatory 1,3-diacyl-2-oxindole compounds
  申请人：Pfizer Inc.

  公开号：US04690943A1

  公开（公告）日：1987-09-01

  Certain novel 2-oxindole compounds, having an acyl substituent at both the 1-position and the 3-position, are inhibitors of the cyclooxygenase (CO) and lipoxygenase (LO) enzymes, and are useful as analgesic agents and antiinflammatory agents in mammalian subjects. These 1,3-diacyl-2-oxindole compounds are of particular value for acute administration for ameliorating pain in human patients recovering from surgery or trauma, and also for chronic administration to human subjects for alleviating the symptoms of chronic diseases such as rheumatoid arthritis and osteoarthritis.

  某些新型的2-噁嗪酮化合物，在1-位置和3-位置都有酰基取代基，是环氧合酶（CO）和脂氧合酶（LO）酶的抑制剂，并且在哺乳动物主体中作为镇痛剂和抗炎剂是有用的。这些1,3-二酰基-2-噁嗪化合物对于急性给药在减轻人类手术或创伤恢复中的疼痛方面具有特殊价值，也对于慢性给药给予人类主体以减轻类风湿性关节炎和骨关节炎等慢性疾病症状方面是有益的。

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