2-[(1-乙基-2-甲基-1H-吲哚-3-基)羰基]-3-吡啶羧酸 | 69898-42-6

• 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: 2-[(1-乙基-2-甲基-1H-吲哚-3-基)羰基]-3-吡啶羧酸
• 英文名称: 2-[(1-ethyl-2-methyl-3-indolyl)carbonyl]-3-pyridinecarboxylic acid
• 英文别名: (1-ethyl-2-methylindol-3-yl)-(3-carboxy-pyridin-2-yl)ketone；3-Pyridinecarboxylic acid, 2-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-；2-(1-ethyl-2-methylindole-3-carbonyl)pyridine-3-carboxylic acid
• CAS: 69898-42-6
• 化学式: C₁₈H₁₆N₂O₃
• 分子量: 308.337
• InChiKey: HGLISOFZJUBYPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(1-乙基-2-甲基-1H-吲哚-3-基)羰基]-3-吡啶羧酸 生成 7-[4-(Diethylamino)-2-(3-methylbutoxy)phenyl]-7-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-5-one
  参考文献：
  名称：

  KAWAI, HAJIME;NAKAI, TOSHIYUKI;TSUNEMITSU, KATSUHIKO

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-二辛基二苯胺 在 吡啶 、 乙酸酐 作用下， 生成 2-[(1-乙基-2-甲基-1H-吲哚-3-基)羰基]-3-吡啶羧酸 、 7-(1-ethyl-2-methyl-3-indolyl)-7-[bis(4-octylphenyl)amino]furo[3,4-b]pyridine-5(7H)-one
  参考文献：
  名称：

  Substituted furopyridinones and furopyrazinones

  摘要：

  取代的呋吡啉酮和呋吡嗪酮可作为压敏无碳复写系统和热标记系统中的显色剂，通过将二苯胺与取代苯甲酰（或3-吲哚甲酰）吡啉羧酸和取代苯甲酰（或3-吲哚甲酰）吡嗪羧酸反应制备。

  公开号：

  US04211872A1

文献信息

• Lactone compounds containing a heterocyclic radical
  申请人：Appleton Papers Inc.

  公开号：US04242513A1

  公开（公告）日：1980-12-30

  Chromogenic compounds of normally colorless form are disclosed having the following structural formula: ##STR1## wherein E represents a six-membered aromatic or heterocyclic ring which may have an aromatic condensed ring and both the E ring and the condensed ring may be substituted, A represents an optionally substituted aminophenyl, indolyl, benzoindolyl, julolidinyl or kairolyl radical or the radical represented by B, and B represents a family of heterocyclic radicals. The compounds of this invention are eligible for use in pressure-sensitive and heat sensitive record materials and manifold marking systems.

  本发明揭示了通常为无色形式的色变化化合物，其具有以下结构式：##STR1## 其中，E表示一个具有芳香环或杂环的六元环，该环可能具有芳香环并且E环和缩合环都可能被取代，A表示一个可选取代的氨基苯基、吲哚基、苯并吲哚基、茱萸啉基或卡伊洛啉基基团或由B表示的基团，B表示一系列杂环基团。本发明的化合物适用于压敏和热敏记录材料以及多联标记系统。
• Lactone compounds containing an indolizine radical
  申请人：Appleton Papers Inc.

  公开号：US04232887A1

  公开（公告）日：1980-11-11

  Chromogenic compounds of normally colorless form are disclosed having the following structural formula: ##STR1## wherein E represents a six-membered aromatic or heterocyclic ring which may have an aromatic condensed ring and both the E ring and the condensed ring may be substituted, A represents an optionally substituted aminophenyl, indolyl, benzoindolyl, julolidinyl or kairolyl radical or the radical represented by B, and B represents a family of indolizine radicals. The compounds of this invention are eligible for use in pressure-sensitive and heat sensitive record materials and manifold marking systems.

  本发明揭示了一种通常为无色形式的色素化合物，其具有以下结构式：##STR1## 其中E代表一个六元芳香或杂环环，可能具有芳香缩合环，E环和缩合环均可被取代，A代表一个可选取代的氨基苯基，吲哚基，苯并吲哚基，茱萸啉基或卡伊罗啉基基团或B所代表的基团，B代表吲哚啉基团家族。本发明的化合物适用于压敏和热敏记录材料和多重标记系统。
• Chromogenic azaphthalide compound and a colour-forming recording
  申请人：Yamada Chemical Co., Ltd.

  公开号：US04747875A1

  公开（公告）日：1988-05-31

  Disclosed herein is a chromogenic compound of the formula: ##STR1## wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4 respectively represent an alkyl group having 1 to 4 carbon atoms; R.sup.5 represents an alkyl group having 5 to 8 carbon atoms or a cycloalkyl group having 5 to 7 carbon atoms; one of X and Y represents a nitrogen atom and the other of X and Y represents a carbon atom, and a color-forming recording composition containing at least one of the chromogenic compounds.

  本文披露了一种具有以下式子的显色化合物：##STR1## 其中，R.sup.1，R.sup.2，R.sup.3和R.sup.4分别表示具有1至4个碳原子的烷基基团；R.sup.5表示具有5至8个碳原子的烷基基团或具有5至7个碳原子的环烷基团；X和Y中的一个表示氮原子，另一个表示碳原子；以及包含至少一种显色化合物的色形成记录组成物。
• Carbonless duplicating systems
  申请人：Sterling Drug Inc.

  公开号：US04243250A1

  公开（公告）日：1981-01-06

  Substituted furopyridinones and furopyrazinones which are useful as color formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting diphenylamines with substituted benzoyl (or 3-indolylcarbonyl)pyridinecarboxylic acids and substituted benzoyl (or 3-indolylcarbonyl)pyrazinecarboxylic acids, respectively.

  本发明涉及一种制备用作压敏无碳复写系统和热标记系统中的色发生剂的取代呋喃吡啶酮和呋喃吡嗪酮。该方法通过将二苯胺与取代苯甲酰（或3-吲哚基甲酰）吡啶羧酸和取代苯甲酰（或3-吲哚基甲酰）吡嗪羧酸分别反应制备。
• Processes for preparing substituted furopyridinones and furopyrazinones
  申请人：Sterling Drug Inc.

  公开号：US04337340A1

  公开（公告）日：1982-06-29

  Substituted furopyridinones and furopyrazinones which are useful as color formers in pressure-sensitive carbonless duplicating systems and thermal marking systems are prepared by reacting diphenylamines with substituted benzoyl (or 3-indolylcarbonyl)pyridinecarboxylic acids and substituted benzoyl (or 3-indolylcarbonyl)pyrazinecarboxylic acids, respectively.

  本发明涉及一种在压敏无碳复写系统和热标记系统中用作颜色形成剂的取代呋喃吡啶酮和取代呋喃吡嗪酮的制备方法。该方法通过将二苯胺与取代苯甲酰（或3-吲哚甲酰）吡啶羧酸和取代苯甲酰（或3-吲哚甲酰）吡嗪羧酸分别反应而制备得到。