Acetic acid, 2-[4-[2,6-dihydro-2,6-dioxo-7-(4-propoxyphenyl)benzo[1,2-b:4,5-ba(2)]difuran-3-yl]phenoxy]-, 2-ethoxyethyl ester | 126877-06-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Acetic acid, 2-[4-[2,6-dihydro-2,6-dioxo-7-(4-propoxyphenyl)benzo[1,2-b:4,5-ba(2)]difuran-3-yl]phenoxy]-, 2-ethoxyethyl ester
• 英文别名: 2-ethoxyethyl 2-[4-[2,6-dioxo-7-(4-propoxyphenyl)furo[2,3-f][1]benzofuran-3-yl]phenoxy]acetate
• CAS: 126877-06-3
• 化学式: C₃₁H₂₈O₉
• 分子量: 544.5
• InChiKey: VMDZHYTVNRTTOI-UHFFFAOYSA-N

物化性质

• 沸点：
  797.5±60.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• Polycyclic dyes
  申请人：ZENECA LIMITED

  公开号：EP0605404A2

  公开（公告）日：1994-07-06

  Polycyclic dyes of the formula: wherein: X1 and X2 are both H; Z1 and Z2 are both O; R1 and R2 each independently is H, alkyl, alkenyl, cycloalkyl, aralkyl or aryl; and Ring B carries a methyl group adjacent to NR1R2; and Ring A is unsubstituted or substituted in the 4-position by an alkyl or alkoxy group and of the formula: wherein: X1 and X2 each independently is H, cyano, alkyl, aryl, carbamoyl, sulphamoyl, COOH or carboxylic acid ester; Z1 and Z2 each independently is -O-, -S- or -NY- in which Y is H, an optionally-substituted hydrocarbon group or an acyl group; R1 and R2 each independently is H or an optionally substituted alkyl, alkenyl, cycloalkyl, aryl or aralkyl group; or R1 and R2 together with the N atom to which they are attached, form a heterocycle; R4 and R5 each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R1 and 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 and 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 NRlR2 in which each of R1 and R2 independently is as hereinbefore defined; R7 and R8 each independently is H, halogen or an optionally substituted alkyl, alkenyl or alkoxy group; or R1 and 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 and 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. The present polycyclic dyes may be used for the coloration of polyester textile material in shades from green through to reddish-blue.

  式中的多环染料： 其中 X1 和 X2 均为 H Z1 和 Z2 都是 O R1 和 R2 各自独立地为 H、烷基、烯基、环烷基、芳基或芳基；以及 环 B 带有一个与 NR1R2 相邻的甲基；以及 环 A 未被取代或在 4 位被烷基或烷氧基取代，其式如下 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 和 R4 与 N 原子以及它们所连接的环 B 中的两个碳原子一起形成一个与环 B 融合的杂环；或 R2 和 R5 与 N 原子以及它们所连接的环 B 中的两个碳原子一起形成一个与环 B 融合的杂环； R6 是 H、卤素、任选取代的烷基或烷氧基或基团 NRlR2，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 和 R7 与 N 原子以及它们所连接的环 A 中的两个碳原子一起形成一个与环 A 融合的杂环；或 R2 和 R8 与 N 原子以及它们所连接的环 A 中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。 本发明的多环染料可用于涤纶纺织材料的着色，色调从绿色到红蓝色。
• HIGH WET FAST DISPERSE DYE MIXTURES
  申请人：DyStar Colours Distribution GmbH

  公开号：EP3461861A1

  公开（公告）日：2019-04-03

  The present invention is directed to dye mixtures comprising dye(s) of formula (1) and specific other dyes, the process for the production of these mixtures as well as their use for dyeing textiles.

  本发明涉及由式（1）染料组成的染料混合物 和特定的其它染料组成的染料混合物、这些混合物的生产工艺以及它们在纺织品染色中的用途。
• High wet fast disperse dye mixtures
  申请人：DyStar Colours Distribution GmbH

  公开号：US10800923B2

  公开（公告）日：2020-10-13

  The present invention is directed to dye mixtures comprising dye(s) of formula (1) and specific other dyes, the process for the production of these mixtures as well as their use for dyeing textiles.

  本发明涉及由式（1）染料组成的染料混合物 和特定的其它染料组成的染料混合物、这些混合物的生产工艺以及它们在纺织品染色中的用途。