3-羟基-2-(3-羟基-5-磺基-1H-吲哚-2-基)-1H-吲哚-5-磺酸 | 28286-71-7

• 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: 3-羟基-2-(3-羟基-5-磺基-1H-吲哚-2-基)-1H-吲哚-5-磺酸
• 英文名称: 3,3'-dihydroxy-1H,1'H-[2,2']biindolyl-5,5'-disulfonic acid
• 英文别名: 3,3'-Dihydroxy-1H,1'H-[2,2']biindolyl-5,5'-disulfonsaeure；3,3'-Dihydroxy-1H,1'H-[2,2'-biindole]-5,5'-disulfonic acid；3-hydroxy-2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-1H-indole-5-sulfonic acid
• CAS: 28286-71-7
• 化学式: C₁₆H₁₂N₂O₈S₂
• 分子量: 424.412
• InChiKey: OXJBWODAZWWGTP-UHFFFAOYSA-N

物化性质

• 密度：
  1.911±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  198
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-羟基-2-(3-羟基-5-磺基-1H-吲哚-2-基)-1H-吲哚-5-磺酸 生成 4-hydroxycyclohexa-2,5-dien-1-one, sodium salt
  参考文献：
  名称：

  Oxidation-Reduction Potentials, Ionization Constants and Semiquinone Formation of Indigo Sulfonates and their Reduction Products

  摘要：

  DOI：

  10.1021/ja01517a051

文献信息

• Process for preparing indigo carmine
  申请人：PROVEPHARM LIFE SOLUTIONS

  公开号：US10767054B2

  公开（公告）日：2020-09-08

  Process for preparing disodium 5,5′-indigosulfonate, the feedstock being indigo, this process including the following steps: i) the indigo is subjected to a sulfonation treatment resulting in a mixture that contains 5,5′-indigosulfonic acid, this process including: ii) a reduction treatment is applied to the mixture obtained in step i), and optionally a purification step, so as to obtain a composition including leuco-5,5′-indigosulfonic acid, iii) the leuco-5,5′-indigosulfonic acid is isolated from the composition resulting from step ii), iv) the leuco-5,5′-indigosulfonic acid resulting from step iii) is oxidized to give disodium 5,5′-indigosulfonate.

  5,5′-indigosulfonate 二钠盐的制备工艺，原料为靛蓝，该工艺包括以下步骤： i) 对靛蓝进行磺化处理，得到含有 5,5′-indigosulfonic acid 的混合物，该工艺包括：ii) 对步骤 i)中得到的混合物进行还原处理，并选择性地进行纯化步骤，从而得到包含亮蓝-5,5′-靛红磺酸的组合物； iii) 亮蓝-5、5′-靛红磺酸从步骤ii)得到的组合物中分离出来，iv)将步骤iii)得到的亮氨酰-5,5′-靛红磺酸氧化，得到5,5′-靛红磺酸二钠。
• PROCESS FOR PREPARING INDIGO CARMINE
  申请人：PROVEPHARM LIFE SOLUTIONS

  公开号：US20190292370A1

  公开（公告）日：2019-09-26

  Process for preparing disodium 5,5′-indigosulfonate, the feedstock being indigo, this process including the following steps: i) the indigo is subjected to a sulfonation treatment resulting in a mixture that contains 5,5′-indigosulfonic acid, this process including: ii) a reduction treatment is applied to the mixture obtained in step i), and optionally a purification step, so as to obtain a composition including leuco-5,5′-indigosulfonic acid, iii) the leuco-5,5′-indigosulfonic acid is isolated from the composition resulting from step ii), iv) the leuco-5,5′-indigosulfonic acid resulting from step iii) is oxidized to give disodium 5,5′-indigosulfonate.