3,7-di(4-diethylaminophenyl)-2,6-dioxo-5-methyl-2,6-dihydro-5H-furo[2:3-f]indole | 129550-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3,7-di(4-diethylaminophenyl)-2,6-dioxo-5-methyl-2,6-dihydro-5H-furo[2:3-f]indole
• 英文别名: 3,7-Bis[4-(diethylamino)phenyl]-5-methylfuro[2,3-f]indole-2,6-dione
• CAS: 129550-77-2
• 化学式: C₃₁H₃₃N₃O₃
• 分子量: 495.621
• InChiKey: JRPJRWJWUKIQCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Polycyclic dyes
  申请人：ZENECA LIMITED

  公开号：EP0363034A2

  公开（公告）日：1990-04-11

  A process for the preparation of a polycyclic dye of Formula I: by reacting a phenyltartronic acid of Formula II: wherein W is - NR¹R² or - OR³; R³ is H or an optionally substituted alkyl, alkenyl, cycloalkyl or aralkyl group; R¹ & R² are each independently H or an optionally substituted alkyl, alkenyl, cycloalkyl, aralkyl or aryl group; or R¹ & R² together with the nitrogen atom to which they are attached form a heterocyclic ring; or R¹ or R² together with the nitrogen atom and the adjacent carbon atom of Ring B form a heterocyclic ring; and Ring B is unsubstituted, apart from the group W, or is substituted by one or two further groups; with either (a) a compound of Formula III: wherein, Z¹ & Z² are each independently - O -, - S - or - NY - in which Y is H, an optionally-substituted hydrocarbon group or an acyl group; X¹ & X² are each independently selected from H, halogen, cyano, alkyl, aryl, carbamoyl, sulphamoyl, COOH and carboxylic acid ester; & Ring A is unsubstituted or is substituted by from one to three groups; or (b) a compound of Formula IV: wherein Z¹, Z², X¹ and X² are as hereinbefore defined; and oxidation of the intermediate compound to dehydrogenate the peripheral heterocyclic rings. The invention also comprises a product of the aforementioned process which is suitable for the colouration of polyester textile material in shades from green through to reddish-blue of the formula: wherein: X¹ & X² each independently is H, cyano, alkyl, aryl, carbamoyl, sulphamoyl, COOH or carboxylic acid ester; Z¹ & Z² each independently is - O -, - S - or - NY - in which Y is H, an optionally-substituted hydrocarbon group or an acyl group; R¹ & R² each independently is H or an optionally substituted alkyl, alkenyl, cycloalkyl, aryl or aralkyl group; or R¹ & R² together with the N atom to which they are attached, form a heterocycle; R⁴ & R⁵ each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R¹ & R⁴ together with the N atom and the two carbon atoms in Ring B to which they are attached form a heterocycle fused to Ring B; or R² & R⁵ together with the N atom and the two carbon atoms in Ring B to which they are attached form a heterocycle fused to Ring B; R⁶ is H, halogen, an optionally substituted alkyl or alkoxy group or a group NR¹R² in which each of R¹ and R² independently is as hereinbefore defined; R⁷ & R⁸ each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R¹ & R⁷ together with the N atom and the two carbon atoms in Ring A to which they are attached form a heterocycle fused to Ring A; or R² & R⁸ together with the N atom and the two carbon atoms in Ring A to which they are attached form a heterocycle fused to Ring A; and where R⁶ is NR¹R², this may be the same as or different from the NR¹R² group present in Ring B.

  一种制备式 I 多环染料的工艺： 式 II 的苯基酒石酸进行反应： 其中 W 是-NR¹R²或-OR³； R³ 是 H 或任选取代的烷基、烯基、环烷基或芳烷基； R¹ 和 R² 各自独立地为 H 或任选取代的烷基、烯基、环烷基、芳基或芳基；或 R¹ 和 R² 与它们所连接的氮原子一起形成杂环；或 R¹ 或 R² 与环 B 的氮原子和相邻碳原子一起形成杂环；以及 除基团 W 外，环 B 未被取代，或被一个或两个基团取代； (a) 式 III 的化合物： 其中 Z¹ 和 Z² 各自独立地为-O-、-S-或-NY-，其中 Y 为 H、任选取代的烃基或酰基； X¹ 和 X² 各自独立地选自 H、卤素、氰基、烷基、芳基、氨基甲酰基、氨基磺酰基、COOH 和羧酸酯；以及 环 A 未被取代或被一至三个基团取代； 或 (b) 式 IV 的化合物： 其中 Z¹、Z²、X¹ 和 X² 如前定义； 并氧化中间体化合物，使外周杂环脱氢。 本发明还包括上述工艺的一种产品，该产品适用于涤纶纺织材料的着色，其色调从绿色到红蓝色，其式如下： Z¹、Z²、X¹和 X²如前所述： 其中 X¹ 和 X² 各自独立地为 H、氰基、烷基、芳基、氨基甲酰基、氨基磺酰基、COOH 或羧酸酯； Z¹ 和 Z² 各自独立地为-O-、-S-或-NY-，其中 Y 为 H、任选取代的烃基或酰基； R¹ 和 R² 各自独立地为 H 或任选取代的烷基、烯基、环烷基、芳基或芳烷基；或 R¹ 和 R² 与它们所连接的 N 原子一起形成杂环； R⁴ 和 R⁵ 各自独立地为 H、卤素或任选取代的烷基、烯基或烷氧基；或 R¹ & R⁴ 与 N 原子和它们所连接的环 B 中的两个碳原子一起形成一个与环 B 融合的杂环；或 R² & R⁵ 与 N 原子和环 B 中与之相连的两个碳原子一起形成一个与环 B 融合的杂环； R⁶ 是 H、卤素、任选取代的烷基或烷氧基或基团 NR¹R²，其中 R¹ 和 R² 各自独立地如前所述定义； R⁷ 和 R⁸ 各自独立地为 H、卤素或任选取代的烷基、烯基或烷氧基；或 R¹ & R⁷ 与 N 原子和环 A 中与之相连的两个碳原子一起形成与环 A 融合的杂环；或 R² & R⁸ 与 N 原子和环 A 中与之相连的两个碳原子一起形成一个与环 A 融合的杂环； 当 R⁶ 为 NR¹R² 时，可与环 B 中的 NR¹R² 基团相同或不同。
• US5084580A
  申请人：——

  公开号：US5084580A

  公开（公告）日：1992-01-28
• US5183888A
  申请人：——

  公开号：US5183888A

  公开（公告）日：1993-02-02
• US5212313A
  申请人：——

  公开号：US5212313A

  公开（公告）日：1993-05-18