2,5-bis(isocyanatemethyl)bicyclo[2.2.1]heptane | 135540-95-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,5-bis(isocyanatemethyl)bicyclo[2.2.1]heptane
• 英文别名: 2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane；2,5-bisisocyanatomethyl-bicyclo[2.2.1]heptane；2,5-Bis-isocyanatomethyl-bicyclo(2.2.1)heptane
• CAS: 135540-95-3
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: LEAAXJONQWQISB-UHFFFAOYSA-N

物化性质

• 沸点：
  313.3±15.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  光气 、 一氧化碳 、 2-氰基-5-降冰片烯 在 亚磷酸三苯酯 、 dicarbonylacetylacetonato rhodium (I) 、 氢气 作用下， 以 甲苯 、 甲醇 为溶剂， 25.0~100.0 ℃ 、1.2 MPa 条件下， 反应 12.0h， 生成 2,5-bis(isocyanatemethyl)bicyclo[2.2.1]heptane 、 2,6-bis(isocyanatemethyl)bicyclo[2.2.1]heptane
  参考文献：
  名称：

  ALDEHYDE COMPOUND PRODUCTION METHOD

  摘要：

  公开号：

  EP2708527B1

文献信息

• PURIFICATION METHOD OF ALDEHYDE COMPOUND
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20150291513A1

  公开（公告）日：2015-10-15

  The purification method of an aldehyde compound of the present invention includes a step of neutralizing a reaction solution containing an aldehyde compound by adding water and a base compound to the reaction solution, and a step of distilling the neutralized reaction solution, in which the reaction solution is obtained by reacting a compound represented by the following Formula (a1) or (a2) with hydrogen and carbon monoxide in the presence of a metal compound of groups 8 to 10 and a phosphorus compound, the phosphorus compound is represented by Formula (R 1 O) 3 P, and the base compound is at least one kind selected from among carbonate and hydrogen carbonate of metals of group I on the periodic table and carbonate and hydrogen carbonate of metals of group II on the periodic table.

  本发明的醛化合物的纯化方法包括以下步骤：通过向含有醛化合物的反应溶液中加入水和碱性化合物来中和反应溶液，以及蒸馏中和后的反应溶液。其中，该反应溶液是通过在8至10族金属化合物和磷化合物存在下，将以下式（a1）或（a2）所代表的化合物与氢气和一氧化碳反应而得到的。磷化合物由式（R1O）3P表示，碱性化合物是周期表上I族金属的碳酸盐和氢碳酸盐以及II族金属的碳酸盐和氢碳酸盐中至少选择一种。
• 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。
• Internal release agent, composition including internal release agent, and process for producing a plastic lens using same composition
  申请人：MITSUI CHEMICALS, INC.

  公开号：US10239239B2

  公开（公告）日：2019-03-26

  An internal release agent includes at least one phosphodiester represented by the following general formula (1). In the formula, R1 and R2 independently represent a hydrocarbon group having 1 to 30 carbon atoms, which is optionally substituted with at least one hydroxyl group, and R3 represents an alkylene group having 2 to 4 carbon atoms. A plurality of R3's may be the same as or different from each other. M represents a hydrogen atom, an ammonium ion, an alkali metal ion, or a monovalent/divalent alkali earth metal ion, and n is an integer of 1 to 60.

  内部释放剂至少包括一个由以下一般式（1）表示的磷酸二酯。在该式中，R1和R2分别表示具有1至30个碳原子的烃基，该烃基可以选择性地取代至少一个羟基，而R3表示具有2至4个碳原子的烷基基团。多个R3可以相同或者彼此不同。M代表氢原子、铵离子、碱金属离子或者一价/二价碱土金属离子，n为1至60的整数。
• Pyrithione compound and microcapsule using the same
  申请人：Sugai Masaharu

  公开号：US20050271736A1

  公开（公告）日：2005-12-08

  A compound represented by formula (I); a multifunctional isocyanate composition, containing an adduct formed by treating the compound represented by formula (I) with a compound represented by formula (II); and a microcapsule using the multifunctional isocyanate composition: wherein, in formula (I), R 1 represents -L 1 -X 1 or X 1 ; R 2 represents a hydrogen atom or -L 2 -X 2 ; L 1 and L 2 each independently represent a divalent linking group; X 1 and X 2 each independently represent a nucleophilic substituent; n represents an integer of 1 to 4; and when n is 2 or more, R 1 s may be the same or different; and R 3 —(NCO) m Formula (II) wherein, in formula (II), R 3 represents an arbitrary m-valent linking group; and m represents an integer of 2 or above.

  一种由化学式（I）表示的化合物；一种含有通过将化学式（I）表示的化合物与化学式（II）表示的化合物处理形成的加合物的多功能异氰酸酯组合物；以及使用多功能异氰酸酯组合物的微胶囊：其中，在化学式（I）中，R1表示-L1-X1或X1；R2表示氢原子或-L2-X2；L1和L2各自独立表示二价连接基团；X1和X2各自独立表示亲核取代基；n表示1到4之间的整数；当n为2或更多时，R1可以相同也可以不同；且R3—（NCO）m 化学式（II）其中，在化学式（II）中，R3表示任意m价连接基团；m表示2或以上的整数。
• 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。