4,5-二甲基靛红 | 100487-79-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 4,5-二甲基靛红
• 英文名称: 4,5-dimethylisatin
• 英文别名: 4,5-dimethyl-indoline-2,3-dione；4,5-Dimethyl-indolin-2,3-dion；4,5-dimethyl-1H-indole-2,3-dione；(4,5)-dimethylisatin
• CAS: 100487-79-4
• 化学式: C₁₀H₉NO₂
• mdl: MFCD00182423
• 分子量: 175.187
• InChiKey: UZQSNRWCIFIUSJ-UHFFFAOYSA-N

物化性质

• 熔点：
  225-226 °C
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-二甲基靛红 在 sodium hydroxide 、 双氧水 作用下， 生成 5,6-dimethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XV. SYNTHESIS OF 5-, 6-, 7-, AND 8-DERIVATIVES WITH TWO IDENTICAL SUBSTITUENTS

  摘要：

  DOI：

  10.1021/jo01135a015
• 作为产物：
  描述：

  hydroxyimino-acetic acid-(3,4-dimethyl-anilide) 在 硫酸 作用下， 以 水 为溶剂， 反应 2.0h， 以30%的产率得到4,5-二甲基靛红
  参考文献：
  名称：

  EP1502916

  摘要：

  公开号：

文献信息

• 1,3-disubstituted indolin-2-ones for neoplasia
  申请人：——

  公开号：US20020028936A1

  公开（公告）日：2002-03-07

  1,3-Disubstituted Indolin-2-Ones compounds are useful in the treatment of neoplasia.

  1,3-二取代吲哚啉-2-酮类化合物在肿瘤治疗中很有用。
• Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same
  申请人：Tzeng Cherng-Chyi

  公开号：US20090111987A1

  公开（公告）日：2009-04-30

  Disclosed herein are novel imino-indeno[1,2-c]quinoline derivatives of formula (I): or a pharmaceutically acceptable salt or solvate thereof, wherein each of the substituents is given the definition as set forth in the Specification and Claims. Also disclosed are the preparation processes of these derivatives, their synthetic precursors and their uses in the manufacture of pharmaceutical compositions for use in the treatment of cancers.

  本文披露了一种新型的imino-indeno[1,2-c]quinoline衍生物，其化学式为(I)：或其药用可接受的盐或溶剂，其中每个取代基的定义如规范和权利要求所述。还披露了这些衍生物的制备过程、它们的合成前体以及它们在制造用于治疗癌症的药物组合物中的用途。
• Process for making 2-oxindole-1-carboxamides and intermediates therefor
  申请人：Pfizer Inc.

  公开号：US04652658A1

  公开（公告）日：1987-03-24

  Preparation of 2-oxindole-1-carboxamides by reaction of 2-oxindoles with chlorosulfonyl isocyanate to produce novel N-chlorosulfonyl-2-oxindole-1-carboxamides which are then hydrolyzed to 2-oxindole-1-carboxamides useful as intermediates for analgesic and antiinflammatory agents.

  通过2-氧吲哚与氯磺酰异氰酸酯反应制备2-氧吲哚-1-羧酰胺，生成新型N-氯磺酰基-2-氧吲哚-1-羧酰胺，然后水解成为2-氧吲哚-1-羧酰胺，该化合物可作为镇痛和抗炎制剂的中间体。
• Intermediates for 1,3-disubstituted 2-oxindoles as analgesic and
  申请人：Pfizer Inc.

  公开号：US04658037A1

  公开（公告）日：1987-04-14

  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. Certain 2-oxindole compounds unsubstituted at the 1-position but having an acyl substituent at C-3 of the formula ##STR1## and the base salts thereof, wherein X is hydrogen, 5-fluoro, 5-chloro or 5-trifluoromethyl; Y is hydrogen, 6-fluoro, 6-chloro or 6-trifluoromethyl; and R.sup.1 is benzyl, furyl, thienyl or thienylmethyl; provided that when X and Y are both hydrogen, R.sup.1 is not benzyl are useful as intermediates to the aforementioned analgesic and anti-inflammatory agents.

  在3位上具有酰基取代基和在羧酰胺氮原子上的某些2-氧吲哚-1-羧酰胺化合物是环氧合酶（CO）和脂氧合酶（LO）酶的抑制剂，并且在哺乳动物中作为镇痛剂和抗炎剂具有用途。某些未在1位上取代但在C-3上具有酰基取代基的2-氧吲哚化合物，其化学式为##STR1##及其碱性盐，其中X为氢，5-氟，5-氯或5-三氟甲基；Y为氢，6-氟，6-氯或6-三氟甲基；R.sup.1为苯甲基，呋喃基，噻吩基或噻吩基甲基；前提是当X和Y都是氢时，R.sup.1不是苯甲基，作为上述镇痛剂和抗炎剂的中间体具有用途。
• 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-氧吲哚化合物，在1-位和3-位都具有酰基取代基，是环氧合酶（CO）和脂氧合酶（LO）酶的抑制剂，并且可用作哺乳动物主体的镇痛剂和抗炎剂。这些1,3-二酰基-2-氧吲哚化合物对于急性治疗人类患者手术或创伤后的疼痛缓解以及长期治疗人类患者类风湿性关节炎和骨关节炎等慢性疾病症状缓解具有特殊价值。