1,1-Diisocyanato-2,2,4-trimethylhexane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-Diisocyanato-2,2,4-trimethylhexane
• 化学式: C₁₁H₁₈N₂O₂
• 分子量: 210.27
• InChiKey: WKTNHCQMVDBMNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• 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

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。
• PLASTIC LENS
  申请人：Tokai Optical Co., Ltd.

  公开号：US20180134872A1

  公开（公告）日：2018-05-17

  To provide a plastic lens which can absorb light with a wavelength of 400 to 420 nm with sufficiently high efficiency but is reduced in the absorption of light with a wavelength of around 420 nm or longer, is less affected by harmful light, suppresses yellow coloration and therefore has excellent appearance, suppresses yellowish discoloration over time, and has excellent heat resistance, light resistance, and also optical performance, particularly an excellent Abbe's number. The plastic lens is characterized by containing an ultraviolet absorbing agent represented by the following formula (I): (in the formula, R 1 to R 8 each independently represent a monovalent group such as a hydrogen atom, R 9 represents a monovalent sulfur-containing group represented by the following formula (i): (in the formula, R 10 represents a divalent hydrocarbon group with 1 to 20 carbon atoms or the like; R 11 represents a divalent hydrocarbon group with 1 to 20 carbon atoms or the like; R 12 represents a monovalent hydrocarbon group with 1 to 20 carbon atoms; the total number of carbon atoms in R 10 , n number of R 11 , and R 12 is 30 or less; m represents an integer of 0 or 1; and n represents an integer of 0 to 3)), and a resin material.

  提供一种塑料镜片，可以高效吸收波长为400至420纳米的光线，但在吸收波长约为420纳米或更长的光线时减少吸收，对有害光线的影响较小，抑制黄色变色，从而具有出色的外观，随着时间的推移抑制黄色变色，并具有出色的耐热性、耐光性以及光学性能，特别是出色的阿贝数。该塑料镜片的特征在于含有以下式(I)所代表的紫外线吸收剂：（在公式中，R1至R8分别表示氢原子等单价基团，R9表示由以下式(i)所代表的含硫单价基团：（在公式中，R10表示含有1至20个碳原子的二价碳氢基团或类似基团；R11表示含有1至20个碳原子的二价碳氢基团或类似基团；R12表示含有1至20个碳原子的单价碳氢基团；R10、R11和R12的碳原子总数不超过30；m表示0或1的整数；n表示0至3的整数）），以及树脂材料。
• [EN] HIGH FLOW SUPRAMOLECULAR COMPOUNDS<br/>[FR] COMPOSÉS SUPRAMOLÉCULAIRES À GRANDE FLUIDITÉ
  申请人：SUPRAPOLIX BV

  公开号：WO2010002262A1

  公开（公告）日：2010-01-07

  The present invention relates to a supramolecular compound comprising a low molecular weight, apolar compound, said low molecular weight, apolar compound having a melting point of below 45°C, a molecular weight of about 80 to about 1500 amu and a HLB-valueof lower than 8, said low molecular weight, apolar compound bearing a single 4H-unit per molecule. The supramolecular compound according to the present invention may be used in coating, ink, toner, resin, lacquer, adhesive or glue compositions.

  本发明涉及一种超分子化合物，包括一种低分子量、非极性化合物，该低分子量、非极性化合物的熔点低于45°C，分子量约为80至1500 amu，HLB值低于8，该低分子量、非极性化合物每个分子带有一个4H单元。本发明的超分子化合物可用于涂料、油墨、色粉、树脂、漆、粘合剂或胶水组合物中。