3-异氰酸基-4-甲基苯胺 | 99626-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-异氰酸基-4-甲基苯胺
• 英文名称: 4-aminotoluene-2-isocyanate
• 英文别名: 3-Isocyanato-4-methylaniline
• CAS: 99626-87-6
• 化学式: C₈H₈N₂O
• 分子量: 148.164
• InChiKey: UVYVLQUYCONZGE-UHFFFAOYSA-N

物化性质

• 沸点：
  284.8±28.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2S,2'S)-5,5'-((((((4-methyl-1,3-phenylene)bis(azanediyl))bis(carbonyl))bis(sulfanediyl))bis(3-((carboxymethyl)amino)-3-oxopropane-1,2-diyl))bis(azanediyl))bis(2-amino-5-oxopentanoic acid) 在 Hank's balanced salts solution 作用下， 反应 72.0h， 生成 2,4-二氨基甲苯 、 (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(5-isocyanato-2-methylphenyl)carbamoylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid 、 3-异氰酸基-4-甲基苯胺 、
  参考文献：
  名称：

  Formation, Solvolysis, and Transcarbamoylation Reactions of Bis(S-glutathionyl) Adducts of 2,4- and 2,6-Diisocyanatotoluene

  摘要：

  During our ongoing studies of the reactions of toluene diisocyanate (2,4- and 2,6-diisocyanatotoluene, TDI) in vivo, it became apparent that reactive form(s) of these diisocyanates reach(es) the circulatory system after passage through the respiratory system. Based on recent work by others regarding the transcarbamoylation reactions of monoisocyanates, we hypothesized that the reactive form could be masked as an S-thiocarbamoylglutathione adduct of one or more of the isocyanato moieties. In this study, the glutathione adducts of 2,4- and 2,6-diisocyanatotoluene were synthesized under physiological conditions. Bis adducts were the major products when near-equimolar amounts of glutathione and the individual diisocyanato compounds were mixed at physiological pH, and were formed in high yield. Little to no mono adducts formed under these reaction conditions. The masses of the bis adducts were confirmed by electrospray mass spectrometry (MS), and H-1 NMR analysis strongly suggested that the thiol of the cysteine residue of glutathione was the nucleophile in each case. The rates of solvolysis of the two bis adducts in aqueous buffer under conditions of physiological temperature and pH were determined, and electrospray MS analysis showed that the corresponding mono(glutathionyl)-TDIs were formed in these reactions. Incubation in, vitro of each of the bis(glutathionyl)-TDI adducts with a 12 amino acid peptide (Thr-Cys-Val-Glu-Trp-Leu-Arg-Arg-Tyr-Leu-Lys-Asn) at pH 7.5 resulted in transfer of one mono(glutathionyl)-toluylisocyanato moiety to the peptide as detected by HPLC and on-line electrospray MS analyses. In both the solvolysis and transfer experiments, the 2,4-TDI-derived bis(glutathionyl) adduct reacted most quickly, while both the bis(glutathionyl)-2,6-TDI adduct and its transfer product with the peptide were more stable than their 2,4-TDI-derived counterparts. The results indicate high stoichiometry in formation and ready transfer to nucleophilic sites of protein, and suggest that the isocyanato moiety of both 2,4- and 2,6-TDI may be regenerated in vivo from their bis(glutathionyl) adducts. As a consequence, the thiol status of particular tissues may be a contributing factor to individual TDI toxicity susceptibility, and a mechanism by which toxicity at sites distant to the initial point of contact may be proposed.

  DOI：

  10.1021/tx960201+

文献信息

• Stretchable film and method for forming the same, method for manufacturing coated wiring substrate, and stretchable wiring film and method for manufacturing the same
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10544272B2

  公开（公告）日：2020-01-28

  The present invention provides a stretchable film including: a cured product of a composition which contains (A) a (meth)acrylate compound having a siloxane bond, (B) a (meth)acrylate compound other than the component (A) having a urethane bond, and (C) an organic solvent having a boiling point in the range of 115 to 200° C. at atmospheric pressure; wherein the component (A) is localized in the direction of a surface of the film. The stretchable film of the present invention is excellent in stretchability and strength as well as repellency on the film surface.

  本发明提供了一种可拉伸薄膜，包括：一种组合物的固化产物，该组合物含有(A)具有硅氧烷键的(甲基)丙烯酸酯化合物，(B)除组分(A)以外的具有氨基甲酸酯键的(甲基)丙烯酸酯化合物，以及(C)在大气压力下沸点在 115 至 200 摄氏度范围内的有机溶剂；其中，组分(A)在薄膜表面的方向上定位。本发明的拉伸薄膜具有优异的拉伸性和强度，以及薄膜表面的排斥性。
• Stretchable film and method for forming the stretchable film
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10501585B2

  公开（公告）日：2019-12-10

  The present invention provides a stretchable film that is excellent in stretch and strength and water repellency on the film surface, and a method for forming the stretchable film. The present invention was accomplished by a stretchable film including a resin having a branched siloxane bond having 3 to 11 silicon atoms on a side chain and having a urethane bond on a main chain.

  本发明提供了一种拉伸性和强度优异且薄膜表面防水的可拉伸薄膜，以及形成该可拉伸薄膜的方法。本发明是通过一种可拉伸薄膜实现的，该薄膜包括一种树脂，该树脂具有支链硅氧烷键，侧链上有 3 至 11 个硅原子，主链上有聚氨酯键。
• Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10743788B2

  公开（公告）日：2020-08-18

  The present invention provides a bio-electrode composition including: a resin containing a urethane bond in a main chain and a siloxane bond in a side chain; and an electro-conductive material, wherein the electro-conductive material is a polymer compound having one or more repeating units selected from fluorosulfonic acid salts shown by the following formulae (1)-1 and (1)-2, sulfonimide salts shown by the following formula (1)-3, and sulfonamide salts shown by the following formula (1)-4. This can form a living body contact layer for a bio-electrode that is excellent in electric conductivity and biocompatibility, light in weight, manufacturable at low cost, and free from large lowering of the electric conductivity even when it is wetted with water or dried. The present invention also provides a bio-electrode in which the living body contact layer is formed from the bio-electrode composition, and a method for manufacturing the bio-electrode.

  本发明提供了一种生物电极组合物，包括：主链中含有聚氨酯键、侧链中含有硅氧烷键的树脂；以及导电材料，其中导电材料是具有一个或多个重复单元的聚合物化合物，这些重复单元选自下式(1)-1和(1)-2所示的氟磺酸盐、下式(1)-3所示的磺酰亚胺盐以及下式(1)-4所示的磺酰胺盐。这样就可以形成生物电极的活体接触层，该层具有优异的导电性和生物相容性，重量轻，制造成本低，即使被水浸湿或干燥，导电性也不会大幅降低。本发明还提供了一种由生物电极组合物形成活体接触层的生物电极，以及制造该生物电极的方法。
• Stretchable film composition, stretchable film, and method for forming the same
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10800916B2

  公开（公告）日：2020-10-13

  The present invention is a stretchable film composition including: a silicone main-chain type urethane having a structure shown by the following general formula (1)-1 and/or (1)-2, and a silicone-pendant type urethane having a structure shown by the following general formula (2)-1 and/or (2)-2. The present invention provides a stretchable film composition that has excellent stretchability and strength, with the film surface having excellent water repellency, and is favorably used for a non-tackiness stretchable film, a stretchable film using the stretchable film composition, and a method for forming the same.

  本发明是一种可拉伸薄膜组合物，包括：具有以下通式（1）-1 和/或（1）-2 所示结构的有机硅主链型聚氨酯，以及具有以下通式（2）-1 和/或（2）-2 所示结构的有机硅附属型聚氨酯。本发明提供了一种拉伸薄膜组合物，该组合物具有优异的拉伸性和强度，薄膜表面具有优异的防水性，可用于无粘性拉伸薄膜，还提供了一种使用该拉伸薄膜组合物的拉伸薄膜，以及形成该拉伸薄膜的方法。
• Adhesive film, method for forming an adhesive film, and urethane polymer
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10934463B2

  公开（公告）日：2021-03-02

  The present invention provides an adhesive film including a resin having a silsesquioxane in a side chain and a urethane bond in a main chain, together with a method for forming the same. The inventive adhesive film has excellent stretchability and strength, with the film surface having higher adhesion and thinner film thickness.

  本发明提供了一种胶膜，其中包括一种侧链为硅烷基二氧杂环戊烷、主链为聚氨酯键的树脂，以及形成这种胶膜的方法。本发明的胶膜具有优异的拉伸性和强度，薄膜表面具有更高的附着力和更薄的薄膜厚度。