N-acetyl-2-methyl-3-hydroxyindole | 83894-23-9

• 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
• 英文名称: N-acetyl-2-methyl-3-hydroxyindole
• 英文别名: 1-acetyl-2-methyl-indol-3-ol；1-(3-hydroxy-2-methyl-indol-1-yl)ethanone；1-(3-Hydroxy-2-methylindol-1-yl)ethanone
• CAS: 83894-23-9
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: UJGPCTRVBCVBHP-UHFFFAOYSA-N

物化性质

• 熔点：
  98.3-99.3 °C
• 沸点：
  340.4±22.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-acetyl-2-methyl-3-hydroxyindole 、 对甲基苯甲酸 在 四丁基溴化铵 作用下， 以 乙腈 为溶剂， 反应 10.0h， 以45%的产率得到1-acetyl-2-methyl-3-oxoindolin-2-yl 4-methylbenzoate
  参考文献：
  名称：

  一种C2-酰氧基-3-吲哚啉酮衍生物及其制备方法与应用

  摘要：

  本发明公开了一种C2‑酰氧基‑3‑吲哚啉酮衍生物及其制备方法与应用，该衍生物的制备方法包括以下步骤：将式(I)所示的N‑乙酰基‑3‑羟基吲哚类化合物和式(II)所示羧酸类化合物在电催化下发生碳氧键偶联反应，制备得到式(III)所示的C2‑酰氧基‑3‑哚啉酮衍生物。本发明不使用金属催化剂和外部氧化剂，绿色环保且价格低廉；该反应所使用的反应体系、反应原料和电解质和溶剂价格低廉、后处理简便且适用工业化生产；其反应条件温和、操作简单且收率高。

  公开号：

  CN114057625A
• 作为产物：
  描述：

  3-acetoxy-1-acetyl-2-methyl-1H-indole 在 1,4-二氧六环 、 水 、 sodium sulfite 作用下， 生成 N-acetyl-2-methyl-3-hydroxyindole
  参考文献：
  名称：

  APPLICATION OF REFORMATSKY AND GRIGNARD REAGENTS TO 1,2-DISUBSTITUTED INDOXYLS

  摘要：

  DOI：

  10.1021/jo01372a012

文献信息

• [EN] N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS<br/>[FR] N-ARYLALKYL-3-AMINOALCOXYINDOLES ET LEUR UTILISATION EN TANT QUE LIGANDS DES RECEPTEURS 5-HT
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2004048331A1

  公开（公告）日：2004-06-10

  The present invention describes substituted 3-Aminoalkoxyindoles, as compounds of the general formula (I), its stereoisomers, its radioisotopes, its geometric forms, its N-oxides, its polymorphs, its pharmaceutically acceptable salts, its pharmaceutically acceptable solvates, its useful bioactive metabolites and any suitable combination of the above. The invention also discloses the processes for preparing such compounds of the general formula (I), its stereoisomers, its radioisotopes, its geometric forms, its N-oxides, its polymorphs, its pharmaceutically acceptable salts, its pharmaceutically acceptable solvates, its useful bio-active metabolites and also includes any suitable combination of the above. Further described are various methods of administering these compounds of general formula (I), i.e. pharmaceutically acceptable dosage forms, their composition and their use in either therapy or diagnosis.

  本发明描述了取代的3-氨基烷氧基吲哚，作为一般式(I)化合物，其立体异构体、放射性同位素、几何形式、N-氧化物、多晶形态、药学上可接受的盐、药学上可接受的溶剂化合物、有用的生物活性代谢物及上述任何合适的组合。该发明还揭示了制备该一般式(I)化合物、其立体异构体、放射性同位素、几何形式、N-氧化物、多晶形态、药学上可接受的盐、药学上可接受的溶剂化合物、有用的生物活性代谢物的方法，并包括上述任何合适的组合。进一步描述了各种给药这些一般式(I)化合物的方法，即药学上可接受的剂型、它们的组成以及它们在治疗或诊断中的用途。
• N-ARYLSULFONYL-3-AMINOALKOXYINDOLES
  申请人：Suven Life Sciences Limited

  公开号：EP1567492B1

  公开（公告）日：2013-05-22
• N-arylsulfonyl-3-aminoalkoxyindoles
  申请人：Ramakrishna Venkata Satya Nirogi

  公开号：US20090131507A1

  公开（公告）日：2009-05-21

  N-arylsulfonyl-3-aminoalkoxyindoles indole compounds, radioisotopes, stereoisomers, geometric forms, N-oxides, polymorphs and pharmaceutically acceptable salts.
• US7718690B2
  申请人：——

  公开号：US7718690B2

  公开（公告）日：2010-05-18
• [EN] N-ARYLSULFONYL-3-AMINOALKOXYINDOLES<br/>[FR] N-ARYLSULFONYL-3-AMINOALKOXYINDOLES
  申请人：SUVEN LIFE SCIENCES LTD

  公开号：WO2004048328A2

  公开（公告）日：2004-06-10

  The present invention describes substituted 3-Aminoalkoxyindoles, compounds of the general formula (I), its stereoisomers, its radioisotopes, its geometric forms, its N-oxides, its polymorphs, its pharmaceutically acceptable salts, its pharmaceutically acceptable solvates, its useful bio-active metabolites and any suitable combination of the above. The invention also discloses the processes for preparing such compounds of the general formula (I), its stereoisomers, its radioisotopes, its geometric forms, its N-oxides, its polymorphs, its pharmaceutically acceptable salts, its pharmaceutically acceptable solvates, its useful bio-active metabolites and also includes any suitable combination of the above. Further described are various methods of administering these compounds of general formula (I), i.e. pharmaceutically acceptable dosage forms, their composition and their use in either therapy or diagnosis.