二(2-异氰酸乙基)碳酸酯 | 13025-29-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 二(2-异氰酸乙基)碳酸酯
• 中文别名: 双(2-异氰酸基乙基)碳酸酯
• 英文名称: Bis-(2-isocyanato-ethyl)-carbonat
• 英文别名: bis(2-isocyanatoethyl) carbonate；Ethanol, 2-isocyanato-, carbonate (2:1) (ester)
• CAS: 13025-29-1
• 化学式: C₇H₈N₂O₅
• 分子量: 200.151
• InChiKey: DZYFUUQMKQBVBY-UHFFFAOYSA-N

物化性质

• 沸点：
  337.86°C (rough estimate)
• 密度：
  1.5265 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  94.4
• 氢给体数：
  0
• 氢受体数：
  7

制备方法与用途

类别：有毒物质
毒性分级：中毒
急性毒性：口服-大鼠 LD50: 1830 毫克/公斤
可燃性危险特性：热分解排出有毒氮氧化物和烟雾
储运特性：库房低温、通风干燥存放
灭火剂：水、二氧化碳、泡沫、干粉

反应信息

• 作为反应物：
  描述：

  、 2,6-Diisocyanatobenzylfuran 、 Bis(2-isocyanato-ethyl)fumarate 、 二(2-异氰酸乙基)碳酸酯 生成 间苯二异氰酸酯
  参考文献：
  名称：

  Thermoplastic polyurethane-epoxy mixtures that develop cross-linking

  摘要：

  本发明的组合物是热熔聚氨酯组合物，适用于在熔融状态下的星形应用，温度范围为约121.1度至232.2度之间，粘度小于50,000 cps，在冷却后形成一种弹性固体。

  公开号：

  US05580946A1

文献信息

• METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID, AND METHODS USING SAME FOR PRODUCING CARBOXYLIC ACID ESTER COMPOUND HAVING MERCAPTO GROUP AND THIOURETHANE-BASED OPTICAL MATERIAL
  申请人：KOC SOLUTION CO., LTD.

  公开号：US20180179154A1

  公开（公告）日：2018-06-28

  A method for producing 3-mercaptopropionic acid and methods using same for producing a carbonic acid ester compound having a mercapto group and a thiourethane-based optical material. The present invention improves a process during the production of 3-mercaptopropionic acid, significantly increases yield, and reduces the temperature and time during vacuum distillation, thereby preventing the destruction of a product and significantly increasing productivity. The present invention allows high-purity 3-mercaptopropionic acid having an excellent color to be finally yielded; accordingly, by using same, a high-purity carbonic acid ester compound having an excellent color and a mercapto group can be inexpensively obtained. A thiourethane-based polymeric composition and a thiourethane-based optical material obtained by polymerizing same can likewise be inexpensively obtained by using said carbonic acid ester compound. Such carbonic acid ester compound can be used for the production of inexpensive thiourethane optical lenses; consequently, inexpensive optical lenses having an excellent color can be obtained.

  一种生产3-巯基丙酸的方法以及使用该方法生产含有巯基的碳酸酯化合物和基于硫脲酯基的光学材料的方法。本发明改进了在生产3-巯基丙酸过程中的工艺，显著提高了产量，并减少了真空蒸馏过程中的温度和时间，从而防止产品的破坏并显著提高生产效率。本发明允许最终得到高纯度、颜色优异的3-巯基丙酸；因此，通过使用该酸，可以廉价获得高纯度、颜色优异且含有巯基的碳酸酯化合物。通过聚合该碳酸酯化合物获得的基于硫脲酯基的聚合物组合物和基于硫脲酯基的光学材料同样可以通过使用上述碳酸酯化合物廉价获得。这种碳酸酯化合物可用于生产廉价的硫脲酯光学透镜；因此，可以获得具有优异颜色的廉价光学透镜。
• PROCESS FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ACID ESTER, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND LENS
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20180186733A1

  公开（公告）日：2018-07-05

  A process for producing a pentaerythritol mercaptocarboxylic acid ester of the present invention includes: a step of reacting pentaerythritol with a mercaptocarboxylic acid, in which an absorbance of a 5 wt % aqueous solution of the pentaerythritol at a wavelength of 270 nm, which is measured using a quartz cell having an optical path length of 50 mm, is 0.07 or less.

  本发明的一种生产对羟基羧基巯基脂肪酸酯的工艺包括：将对羟基羧基巯基脂肪酸与对羟基羧基醇反应的步骤，其中在使用光路长度为50毫米的石英池测量的270纳米波长处，对5重量%的对羟基羧基醇水溶液的吸光度为0.07或更低。
• POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, AND USE OF POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2824126A1

  公开（公告）日：2015-01-14

  A polythiol composition according to the present invention includes a polythiol compound (A) having three or more mercapto groups and a nitrogen-containing compound (B) in which one of a mercapto group of the polythiol compound (A) is replaced with a group represented by the following formula (a) and other one of a mercapto group of the polythiol compound (A) is replaced with a hydroxyl group, in which the peak area of the nitrogen-containing compound (B) is equal to or less than 3.0 with respect to the peak area of 100 of the polythiol compound (A) in a high performance liquid chromatography measurement.

  根据本发明的一种聚硫醇组合物包括具有三个或更多巯基的聚硫醇化合物（A）和一种含氮化合物（B），其中聚硫醇化合物（A）的一个巯基被替换为以下式（a）所表示的基团，另一个巯基被替换为一个羟基，其中在高效液相色谱测量中，含氮化合物（B）的峰面积与聚硫醇化合物（A）的100的峰面积相比等于或小于3.0。
• CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20200190106A1

  公开（公告）日：2020-06-18

  A chromene compound having at least one indenonaphthopyran moiety which has a group forming a spiro ring together with the 13-position carbon atom and further an oligomer chain group selected from a polyalkylene oxide oligomer chain group having at least three recurring units and a polyester oligomer chain group having at least three recurring units, represented by the following formula and having reduced matrix dependence: wherein R 1 and R 2 are each a group which may have an oligomer chain group, the ring Z bonded to the 13-position carbon atom of the chromene compound is a Spiro ring group, and R 3 and R 4 are each an aryl group or heteroaryl group which may have an oligomer chain group. Preferably, the chromene compound has at least one oligomer chain group in the molecule.

  具有至少一个印苯并萘吡喃基团的色酮化合物，其中该基团与13位碳原子形成螺环，并且进一步具有从至少三个重复单元中选择的聚烷氧基寡聚物链基团和聚酯寡聚物链基团中的一个寡聚物链基团，由下式表示并具有降低的矩阵依赖性： 其中R1和R2是各自可能具有寡聚物链基团的基团，与色酮化合物的13位碳原子键合的环Z是螺环基团，而R3和R4是各自可能具有寡聚物链基团的芳基或杂环基团。最好，该色酮化合物在分子中至少具有一个寡聚物链基团。
• [EN] POLYTHIOL COMPOSITION<br/>[FR] COMPOSITION DE POLYTHIOL
  申请人：PPG IND OHIO INC

  公开号：WO2020041183A1

  公开（公告）日：2020-02-27

  The present invention relates to a polythiol composition that includes (a) a polythiol compound (A) having at least two thiol groups; and (b) a nitrogen-containing compound (B) represented by the following Formula (I). In Formula (I), -S-R is a residue of the polythiol compound (A). A peak area of the nitrogen containing compound (B) is equal to or less than 3.0, with respect to a peak area of 100 of the polythiol compound (A). Each peak area for compounds (A) and (B) is determined by high performance liquid chromatography analysis. The present invention also relates to a polymerizable composition that includes the polythiol composition, and polymerizates thereof.

  本发明涉及一种聚硫醇组合物，包括（a）至少具有两个硫醇基团的聚硫醇化合物（A）；以及（b）由以下式子（I）表示的含氮化合物（B）。在式（I）中，-S-R是聚硫醇化合物（A）的残基。与聚硫醇化合物（A）的100的峰面积相比，含氮化合物（B）的峰面积等于或小于3.0。化合物（A）和（B）的每个峰面积是通过高效液相色谱分析确定的。本发明还涉及一种可聚合组合物，包括聚硫醇组合物和其聚合物。