3-[(4-methylphenylsulfonyl)-(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole | 77978-01-9

• 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: 3-[(4-methylphenylsulfonyl)-(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole
• 英文别名: 3-[(4-methylphenylsulfonyl)(2-thienyl)methyl]-1-ethyl-2-methyl-1H-indole；1-Ethyl-2-methyl-3-[(4-methylphenyl)sulfonyl-thiophen-2-ylmethyl]indole
• CAS: 77978-01-9
• 化学式: C₂₃H₂₃NO₂S₂
• 分子量: 409.573
• InChiKey: HEACIZLKJKNTRI-UHFFFAOYSA-N

物化性质

• 沸点：
  630.9±55.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  75.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(4-methylphenylsulfonyl)-(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 3-[(methoxy)(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole
  参考文献：
  名称：

  3[(Alkoxy)(4-aminophenyl, 1-naphthyl or 1-biphenylyl)methyl]1H-indoles

  摘要：

  将在压敏无碳复写系统和热标记系统中作为显色剂有用的3-[(烷氧基)(芳基或杂环芳基)甲基]-1H-吲哚通过在碱存在下将3-[(芳磺酰基)(芳基或杂环芳基)甲基]-1H-吲哚与醇反应制备。

  公开号：

  US04485242A1
• 作为产物：
  描述：

  2-噻吩甲醛 、 N-乙基-2-甲基吲哚 、 sodium 4-methylbenzenesulfinate 生成 3-[(4-methylphenylsulfonyl)-(thien-2-yl)methyl]-1-ethyl-2-methyl-1H-indole
  参考文献：
  名称：

  3[(Alkoxy)(4-aminophenyl, 1-naphthyl or 1-biphenylyl)methyl]1H-indoles

  摘要：

  将在压敏无碳复写系统和热标记系统中作为显色剂有用的3-[(烷氧基)(芳基或杂环芳基)甲基]-1H-吲哚通过在碱存在下将3-[(芳磺酰基)(芳基或杂环芳基)甲基]-1H-吲哚与醇反应制备。

  公开号：

  US04485242A1

文献信息

• 3-[(Substituted-amino)(aryl)methyl]-1H-indoles
  申请人：Sterling Drug Inc.

  公开号：US04398030A1

  公开（公告）日：1983-08-09

  3-[(Substituted-amino)(aryl or heteroaryl)methyl]-1H-indoles which are useful as color-formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting 3-[(arylsulfonyl)(aryl or heteroaryl)methyl]-1H-indoles with amines or precursors thereof in the presence of a base.

  3-[(芳基磺酰基)(芳基或杂环芳基)甲基]-1H-吲哚在存在碱的情况下与胺或其前体反应制备，这些化合物在压敏无碳复写系统和热标记系统中作为显色剂非常有用。
• Compositions, process and systems
  申请人：Sterling Drug Inc.

  公开号：US04321369A1

  公开（公告）日：1982-03-23

  Aldehyde or ketone 0-[(3-indolyl)(aryl or heteroaryl)methyl]oximes which are useful as color-formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting 3-[(arylsulfonyl)(aryl or heteroaryl)methyl]-1H-indoles with aldehyde or ketone oximes in the presence of a base.

  通过在碱的存在下将3-[(芳基磺酰基)(芳基或杂环芳基)甲基]-1H-吲哚与醛或酮肟反应制备用作压敏无碳复写系统和热标记系统中的显色剂的醛或酮0-[(3-吲哚基)(芳基或杂环芳基)甲基]肟。
• Indoles, process for preparing them and duplicating or marking systems containing them
  申请人：STERLING DRUG INC.

  公开号：EP0035774A2

  公开（公告）日：1981-09-16

  3-[(AlkoXy) (aryl or heteroaryl)methyl]-1H-indoles which are useful as color formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting 3-[(arylsulfonyl) (aryl or heteroaryl) methyl]-1H-indoles with alcohols in the presence of a base.

  3-[(AlkoXy) (芳基或杂芳基)甲基]-1H-吲哚可用作压敏无碳复写系统和热打标系统中的显色剂，其制备方法是将 3-[(芳基磺酰基) (芳基或杂芳基)甲基]-1H-吲哚与醇在碱存在下反应。
• Substituted oximes, process for preparing them and duplicating and marking systems
  申请人：STERLING DRUG INC.

  公开号：EP0035773A2

  公开（公告）日：1981-09-16

  Aldehyde or ketone 0-[(3-indolyl) (aryl or heteroaryl)-methyl]oximes which are useful as color-formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting 3-[(arylsulfonyl) (aryl or heteroaryl)methyl]-1H-indoles with aldehyde or ketone oximes in the presence of a base.

  醛或酮 0-[(3-吲哚基)(芳基或杂芳基)-甲基]肟可用作压敏无碳复写系统和热打标系统中的显色剂，其制备方法是将 3-[(芳基磺酰基)(芳基或杂芳基)甲基]-1H-吲哚与醛或酮肟在碱存在下反应。
• Substituted 1H-indoles, process for their preparation and duplicating and marking systems comprising them
  申请人：STERLING DRUG INC.

  公开号：EP0035775A2

  公开（公告）日：1981-09-16

  3 [ (Substituted-amino) (aryl or heteroaryl)methyl]- 1H-indoles which are useful as color-formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting 3-[(arylsulfonyl) (aryl or heteroaryl(methyl]-1H-indoles with amines or precursors thereof in the presence of a base.

  3-[（取代-氨基）（芳基或杂芳基）甲基]-1H-吲哚可用作压敏无碳复写系统和热敏打标系统中的显色剂，其制备方法是将 3-[（芳基磺酰基）（芳基或杂芳基）甲基]-1H-吲哚与胺或其前体在碱存在下进行反应。