4-异氰酸-N,N-二(4-异氰酸苯基)-2,5-二甲氧基苯胺 | 106790-31-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-异氰酸-N,N-二(4-异氰酸苯基)-2,5-二甲氧基苯胺
• 英文名称: Benzenamine, 4-isocyanato-N,N-bis(4-isocyanatophenyl)-2,5-dimethoxy-
• 英文别名: 4-isocyanato-N,N-bis(4-isocyanatophenyl)-2,5-dimethoxyaniline
• CAS: 106790-31-2
• 化学式: C₂₃H₁₆N₄O₅
• 分子量: 428.4
• InChiKey: AICHIFMREFAQPW-UHFFFAOYSA-N

物化性质

• 沸点：
  566.7±50.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N~1~,N~1~-Bis(4-aminophenyl)-2,5-dimethoxybenzene-1,4-diamine 、 光气 生成 4-异氰酸-N,N-二(4-异氰酸苯基)-2,5-二甲氧基苯胺
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Novel compound for color-producing composition, and recording material
  申请人：——

  公开号：US20010044553A1

  公开（公告）日：2001-11-22

  A urea-urethane compound having one or more urea groups and one or more urethane groups in the molecular structure, the number of said urea groups (A) and the number of said urethane groups (B) satisfying the following numerical formula: 10≧( A+B )≧3 wherein each of A and B is an integer of 1 or more.

  分子结构中含有一个或多个脲基和一个或多个脲酯基的脲酯化合物，其中所述脲基（A）的数量和所述脲酯基（B）的数量满足以下数值公式：10≤(A+B)≤3 ，其中A和B均为1或更多的整数。
• NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL
  申请人：KABASHIMA Kazuo

  公开号：US20100105941A1

  公开（公告）日：2010-04-29

  A urea-urethane compound having one or more urea groups and one or more urethane groups in the molecular structure, the number of said urea groups (A) and the number of said urethane groups (B) satisfying the following numerical formula: 10≧( A+B )≧3 wherein each of A and B is an integer of 1 or more.

  一种尿素-脲化合物，其分子结构中具有一种或多种尿素基团和一种或多种脲基团，其中所述尿素基团（A）的数量和所述脲基团（B）的数量满足以下数值公式：10≥（A+B）≥3，其中A和B均为1或更多的整数。
• Carboxylate and heat-sensitive recording material using same
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0679640A1

  公开（公告）日：1995-11-02

  A carboxylate is herein disclosed which is represented by the formula (1) or (2) wherein a ring X is an aromatic residue which may have a substituent; A is =NH or -(OR³ or OR⁴) (wherein each of R³ and R⁴ is independently an alkyl group having 1 to 8 carbon atoms which may have a substituent, and R³ and R⁴ may bond to each other to form a ring); R¹ is a hydrogen atom, an alkyl group having 1 to 20 carbon atoms which may have a substituent, an aralkyl group which may have a substituent, or an aryl group which may have a substitutent, but when A is =NH, R¹ is an aryl group which may have a substituent; and R² is an alkyl group having 1 to 8 carbon atoms which may have a substituent. A heat-sensitive recording material comprising this carboxylate is excellent in the stability of the color image and can provide an optically character-readable sharp color image.

  本文公开了一种羧酸盐，由式（1）或（2）表示 其中环 X 是可具有取代基的芳香残基；A 是＝NH 或-(OR³ 或 OR⁴)（其中 R³ 和 R⁴ 各自独立地是具有 1 至 8 个碳原子的烷基，可具有取代基，且 R³ 和 R⁴ 可相互键合形成环）；R¹是氢原子、具有 1 至 20 个碳原子的烷基（可带有取代基）、芳烷基（可带有取代基）或芳基（可带有取代基），但当 A =NH 时，R¹是芳基（可带有取代基）；以及 R² 是具有 1 至 8 个碳原子的烷基（可带有取代基）。由这种羧酸盐组成的热敏记录材料在彩色图像的稳定性方面非常出色，可以提供光学字符可读的清晰彩色图像。
• Process for producing arylsulfonylureide compounds
  申请人：Yamamoto Chemicals, Inc.

  公开号：EP0879816A1

  公开（公告）日：1998-11-25

  The arylsulfonylureide compound which is of value as a color developer is provided in high yield and high purity by a simple procedure. The technology of the invention for producing an arylsulfonylureide compound of general formula (1)         (Ar1-SO2NHCONH)n-Ar2     (1) wherein Ar1 represents an aromatic residue; Ar2 represents a bivalent or trivalent aromatic residue; n represents an integer of 2 or 3 comprises reacting an arylsulfonamide alkali metal salt of general formula (2)         Ar1-SO2NH·B     (2) wherein B represents an alkali metal with an aromatic isocyanate compound of general formula (3)         Ar2-(NCO)n     (3) in at least one solvent selected from the class consisting of acetonitrile, acetone, methyl ethyl ketone, diethyl ketone, methyl isobutyl ketone, tetrahydrofuran, ethyl acetate, and butyl acetate and containing 1 to 10 weight % of water in a state of suspension being maintained throughout the reaction and eliminating the alkali metal from the resulting arylsulfonylureide compound alkali metal salt in the same solvent.

  本发明通过一个简单的步骤，提供了高产率和高纯度的具有显色剂价值的芳基磺酰脲化合物。本发明生产通式（1）的芳基磺酰脲化合物的技术 (Ar1-SO2NHCONH)n-Ar2 (1) 其中 Ar1 代表芳香族残基；Ar2 代表二价或三价芳香族残基；n 代表 2 或 3 的整数 包括使通式(2)的芳基磺酰胺碱金属盐反应 Ar1-SO2NH-B (2) 其中 B 代表碱金属与通式（3）的芳香族异氰酸酯化合物反应 Ar2-(NCO)n (3) 在至少一种选自乙腈、丙酮、甲乙酮、二乙基酮、甲基异丁基酮、四氢呋喃、乙酸乙酯和乙酸丁酯的溶剂中，并含有 1 至 10 重量％的水 在整个反应过程中保持悬浮状态，并 在相同的溶剂中消除所得芳基磺酰脲化合物碱金属盐中的碱金属。
• NOVEL COLOR-DEVELOPING COMPOUND AND RECORDING MATERIAL
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP1116713A1

  公开（公告）日：2001-07-18

  A urea-urethane compound having one or more urea groups and one or more urethane groups in the molecular structure, the number of said urea groups (A) and the number of said urethane groups (B) satisfying the following numerical formula:         10 ≧ (A + B) ≧ 3 wherein each of A and B is an integer of 1 or more.

  一种脲-氨基甲酸酯化合物，其分子结构中含有一个或多个脲基团和一个或多个氨基甲酸酯基团，所述脲基团（A）的数目和所述氨基甲酸酯基团（B）的数目满足以下数值公式： 10 ≧ (A + B) ≧ 3 其中 A 和 B 均为 1 或 1 以上的整数。