3-[2,4-二(二甲氨基)苯基]-6-(二甲氨基)-3-[4-(二甲氨基)苯基]苯酞 | 52830-74-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-[2,4-二(二甲氨基)苯基]-6-(二甲氨基)-3-[4-(二甲氨基)苯基]苯酞
• 英文名称: 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-[2,4-bis(dimethylamino)phenyl]phthalide
• 英文别名: 3-[2,4-bis(dimethylamino)phenyl]-3-(4-dimethylaminophenyl)-6-dimethylaminophthalide；3-(2,4-Bis(dimethylamino)phenyl)-6-(dimethylamino)-3-(4-(dimethylamino)phenyl)phthalide；3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
• CAS: 52830-74-7
• 化学式: C₂₈H₃₄N₄O₂
• 分子量: 458.604
• InChiKey: WVSPCAHHSFSZOC-UHFFFAOYSA-N

物化性质

• 熔点：
  171-172 °C
• 沸点：
  659.6±55.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  39.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[2,4,4'-tris(dimethylamino)benzhydryl]-5-dimethylaminobenzoic acid 生成 3-[2,4-二(二甲氨基)苯基]-6-(二甲氨基)-3-[4-(二甲氨基)苯基]苯酞
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Substituted phthalides
  申请人：Hilton Davis Chemical Co.

  公开号：US04732991A1

  公开（公告）日：1988-03-22

  Process comprises the combination of the three steps of condensing 3-N(R).sub.2 -4-X-benzoic acid with an aromatic or heterocyclic aldehyde, Y-CHO, under acidic conditions to produce 3-Y-5-X-6-N(R).sub.2 phthalide (II), condensing said phthalide with a compound of the formula Z-H under alkaline or acid conditions to produce 2-(.alpha.-Y-.alpha.-Z)methyl-4-X-5-N(R).sub.2 benzoic acid (III), and oxidizing said benzoic acid to produce 3-Y-3-Z-5-X-6-N(R).sub.2 phthalide (I) where: R is hydrogen, non-tertiary alkyl of one to four carbon atoms, benzyl or substituted benzyl; X is hydrogen or halo; Y is 4-R.sup.1 -3-R.sup.2 -2-R.sup.1 -phenyl, 1-R.sup.5 -2-R.sup.6 -5/6-R.sup.4 -3-indolyl, 9-R.sup.7 -3-carbazolyl, 9-julolidinyl, 3,4-dioxymethylenephenyl, 2-thienyl, 1-R.sup.8 -2-pyrrolyl, or 4-pyridinyl; and Z is 4-R.sup.1 -3-R.sup.2 -2-R.sup.1 -phenyl, 1-R.sup.5 -2-R.sup.6 -5/6-R.sup.4 -3-indolyl or 1-R.sup.8 -2-pyrrolyl which are useful as colorless precursor color formers in carbonless duplicating and in thermal marking systems. The intermediates, 3-Y-5-X-6-N(R).sub.2 phthalides (II) and 2-(.alpha.-Y-.alpha.-Z)methyl-4-X-5-N(R).sub.2 benzoic acids (III) also have utility as colorless precursor color formers in carbonless duplicating and thermal marking systems.

  该过程包括三个步骤的组合，即在酸性条件下将3-N（R）.sub.2-4-X-苯甲酸与芳香族或杂环醛Y-CHO缩合，以产生3-Y-5-X-6-N（R）.sub.2邻苯二酸酐（II），将所述邻苯二酸酐与式为Z-H的化合物在碱性或酸性条件下缩合，以产生2-（.alpha.-Y-.alpha.-Z）甲基-4-X-5-N（R）.sub.2苯甲酸（III），并将所述苯甲酸氧化以产生3-Y-3-Z-5-X-6-N（R）.sub.2邻苯二酸酐（I），其中：R为氢，一至四个碳原子的非三级烷基，苄基或取代苄基；X为氢或卤素；Y为4-R.sup.1-3-R.sup.2-2-R.sup.1-苯基，1-R.sup.5-2-R.sup.6-5/6-R.sup.4-3-吲哚基，9-R.sup.7-3-咔唑基，9-茱萸啉基，3,4-二氧甲基苯基，2-噻吩基，1-R.sup.8-2-吡咯基或4-吡啶基；Z为4-R.sup.1-3-R.sup.2-2-R.sup.1-苯基，1-R.sup.5-2-R.sup.6-5/6-R.sup.4-3-吲哚基或1-R.sup.8-2-吡咯基。这些化合物可用作无色前体色形成剂，用于无碳复写和热标记系统。中间体3-Y-5-X-6-N（R）.sub.2邻苯二酸酐（II）和2-（.alpha.-Y-.alpha.-Z）甲基-4-X-5-N（R）.sub.2苯甲酸（III）也可用作无色前体色形成剂，用于无碳复写和热标记系统。
• 3-(substituted phenyl)phthalides
  申请人：The Hilton-Davis Chemical Co.

  公开号：US04595768A1

  公开（公告）日：1986-06-17

  Process comprises the combination of the three steps of condensing 3-N(R).sub.2 -4-X-benzoic acid with an aromatic or heterocyclic aldehyde, Y-CHO, under acidic conditions to produce 3-Y-5-X-6-N(R).sub.2 phthalide (II), condensing said phthalide with a compound of the formula Z-H under alkaline or acid conditions to produce 2-(.alpha.-Y-.alpha.-Z)methyl-4-X-5-N(R).sub.2 benzoic acid (III), and oxidizing said benzoic acid to produce 3-Y-3-Z-5-X-6-N(R).sub.2 phthalide (I) where: R is hydrogen, non-tertiary alkyl of one to four carbon atoms, benzyl or substituted benzyl; X is hydrogen or halo; Y is 4-R.sup.1 -3-R.sup.2 -2-R.sup.1 -phenyl, 1-R.sup.5 -2-R.sup.6 -5/6-R.sup.4 -3-indolyl, 9-R.sup.7 -3-carbazolyl, 9-julolidinyl, 3,4-dioxymethylenephenyl, 2-thienyl, 1-R.sup.8 -2-pyrrolyl, or 4-pyridinyl; and Z is 4-R.sup.1 -3-R.sup.2 -2-R.sup.1 -phenyl, 1-R.sup.5 -2-R.sup.6 -5/6-R.sup.4 -3-indolyl or 1-R.sup.8 -2-pyrrolyl which are useful as colorless precursor color formers in carbonless duplicating and in thermal marking systems. The intermediates, 3-Y-5-X-6-N(R).sub.2 phthalides (II) and 2-(.alpha.-Y-.alpha.-Z)methyl-4-X-5-N(R).sub.2 benzoic acids (III) also have utility as colorless precursor color formers in carbonless duplicating and thermal marking systems.

  该过程包括以下三个步骤的组合：在酸性条件下将3-N(R).sub.2-4-X-苯甲酸与芳香族或杂环醛Y-CHO缩合，以产生3-Y-5-X-6-N(R).sub.2邻苯二酮(II)，将所述邻苯二酮与式为Z-H的化合物在碱性或酸性条件下缩合，以产生2-(.alpha.-Y-.alpha.-Z)甲基-4-X-5-N(R).sub.2苯甲酸(III)，将所述苯甲酸氧化，以产生3-Y-3-Z-5-X-6-N(R).sub.2邻苯二酮(I)。其中：R是氢、一至四个碳原子的非三级烷基、苄基或取代苄基；X是氢或卤素；Y是4-R.sup.1-3-R.sup.2-2-R.sup.1-苯基、1-R.sup.5-2-R.sup.6-5/6-R.sup.4-3-吲哚基、9-R.sup.7-3-咔唑基、9-茱萸啉基、3,4-二氧甲基苯基、2-噻吩基、1-R.sup.8-2-吡咯基或4-吡啶基；Z是4-R.sup.1-3-R.sup.2-2-R.sup.1-苯基、1-R.sup.5-2-R.sup.6-5/6-R.sup.4-3-吲哚基或1-R.sup.8-2-吡咯基。它们可用作无色前体彩色形成剂，用于无碳复写和热标记系统。中间体3-Y-5-X-6-N(R).sub.2邻苯二酮(II)和2-(.alpha.-Y-.alpha.-Z)甲基-4-X-5-N(R).sub.2苯甲酸(III)也具有作为无色前体彩色形成剂的实用性，用于无碳复写和热标记系统。
• Hydrazine derivatives of phthalides and furopyridinones, methods for making and for using said compounds
  申请人：STERLING DRUG INC.

  公开号：EP0108382A1

  公开（公告）日：1984-05-16

  This invention relates to mono- and bis (aryl-and/or heteroaryl)-substituted-phthalazinones, phthalimidines, pyridopyridazinones and pyrrolopyridinones useful as color-forming substances, particularly in electrochromic recording systems, which are prepared by the interaction of a mono- or bis-substituted-phthalide or furopyridinone with a substituted or unsubstituted hydrazine.

  本发明涉及单-和双（芳基和/或杂芳基）-取代-酞嗪酮、酞亚胺、吡啶哒嗪酮和吡咯哒嗪酮，这些物质可用作成色物质，特别是在电致变色记录系统中，它们是由单-或双-取代-酞或呋喃吡啶酮与取代或未取代的肼相互作用而制备的。
• ——
  作者：SCHMIDT P. J.、 CROUNSE N. N.

  DOI：——

  日期：——
• SCHMIDT, PAUL J.;CROUNSE, NATHAN N.
  作者：SCHMIDT, PAUL J.、CROUNSE, NATHAN N.

  DOI：——

  日期：——