Octanamide, N-(5-((2-amino-1,2-dithioxoethyl)amino)-2-methylpentyl)- | 142399-37-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: Octanamide, N-(5-((2-amino-1,2-dithioxoethyl)amino)-2-methylpentyl)-
• 英文别名: N-[5-[(2-amino-2-sulfanylideneethanethioyl)amino]-2-methylpentyl]octanamide
• CAS: 142399-37-9
• 化学式: C₁₆H₃₁N₃OS₂
• 分子量: 345.6
• InChiKey: KURBMUJPNSFJEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Ethanediimidic acid bis arylalkylidene)hydrazide
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0531020A1

  公开（公告）日：1993-03-10

  This invention relates to improved imaging systems based on the formation of yellow colored coordination compounds of transition metals with certain ligands. The formation of colored coordination compounds can be employed to generate images and is important in the manufacture and use of pressure sensitive transfer papers for preparing carbonless copies. In particular, this invention relates to certain ethanediimidic acid bis[(arylalkylidene)hydrazide] compounds, and particularly to certain ethanediimidic acid bis[(o-hydroxyarylalkylidene)hydrazide] compounds, to their coordination compounds with certain transition metals, and to their use in pressure sensitive carbonless copy paper systems. These compounds have been found to provide excellent yellow colors when used in pressure sensitive carbonless copy-papers wherein the image is formed by the reaction of a color-forming compound with transition metal salts such as those of nickel, cobalt, iron, copper, and similar materials. These yellow color-formers have the advantage of greater solubility in encapsulation solvents and lower volatility than previously used yellow color-formers. The invention also concerns the admixture of these certain color-formers with N-(monosubstituted)dithiooxamides and/or N,N′-(disubstituted)dithiooxamides to form images of various colors and preferably black images during the application of appropriate pressure to pressure sensitive imaging constructions such as carbonless paper constructions.

  本发明涉及基于过渡金属与某些配体形成黄色配合物的改进成像系统。 形成彩色配合物可以用于生成图像，并且在制造和使用压敏转移纸以制备无碳复写副本时非常重要。 特别是，本发明涉及某些乙二酰亚胺二[(芳基烷基亚甲基)肼]化合物，特别是某些乙二酰亚胺二[(o-羟基芳基烷基亚甲基)肼]化合物，它们与某些过渡金属的配位化合物以及它们在压敏无碳复写纸系统中的使用。 发现这些化合物在使用压敏无碳复写纸时，与镍，钴，铁，铜和类似材料的过渡金属盐反应形成的图像提供出色的黄色。 这些黄色色形成剂具有比先前使用的黄色色形成剂更大的封装溶剂溶解度和较低的挥发性的优点。本发明还涉及将这些某些色形成剂与N-（单取代）二硫氧咪唑和/或N，N'-（双取代）二硫氧咪唑混合以形成各种颜色的图像，最好是在施加适当压力于压敏成像结构（例如无碳纸结构）时形成黑色图像。
• Monosubstituted dithiooxamide compounds and their use
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0434213A1

  公开（公告）日：1991-06-26

  An N-(monosubstituted)dithiooxamide compound of the formula: wherein R3 comprises: (a) an alkyl or aralkyl group having 11 or more carbon atoms; or (b) a group of the structure -R4-Y-R5 wherein: (i) when Y is a functional group selected from the group consisting of -N(R6)C(O)-, -C(O)N-(R6)-, -N(RG)-, -N(RG)C(0)0-, -OC(O)N(R6)-, and -N(R6)C(O)N(R7), wherein R6 and R7 are independently hydrogen, or an alkyl or aralkyl group having 1 to 12 carbon atoms: R4 is a divalent alkyl or divalent aralkyl group having 1 to 12 carbon atoms; R5 is hydrogen, or an alkyl or aralkyl group having 1 to 20 carbon atoms; and, the total number of carbon atoms in R4 plus R5 is at least 7; or (ii) when Y is a functional group selected from the group consisting of -OC(O)-, -C(O)O-, and -OC(O)O-: R4 is a divalent alkyl or divalent aralkyl group having 1 to 12 carbon atoms; R5 is hydrogen, or an alkyl or aralkyl group having 1 to 20 carbon atoms; and, the total number of carbon atoms in R4 plus R5 is at least 9. Preferred materials are those for which when the monosubstituent dithiooxamide is complexed with a transition metal cation, the resulting polymer is substantially a dark, i.e., blue or blue-black color. Carbonless paper constructions involving use of N-(monosubstituted)dithiooxamides to advantage are described.

  一种 N-(单取代)二硫代草酰氨化合物，其式如下 其中 R3 包括 (a) 具有 11 个或更多碳原子的烷基或芳烷基；或 (b) 结构为 -R4-Y-R5 的基团，其中(i) 当 Y 是选自以下组别的官能团时：-N(R6)C(O)-、-C(O)N-(R6)-、-N(RG)-、-N(RG)C(0)0-、-OC(O)N(R6)- 和-N(R6)C(O)N(R7)，其中 R6 和 R7 独立地是氢、或具有 1 至 12 个碳原子的烷基或芳烷基：R4 是具有 1 至 12 个碳原子的二价烷基或二价芳烷基；R5 是氢、或具有 1 至 20 个碳原子的烷基或芳烷基；且 R4 加 R5 中的碳原子总数至少为 7；或 (ii) 当 Y 是选自-OC(O)-、-C(O)O-和-OC(O)O-的官能团时：R4 是具有 1 至 12 个碳原子的二价烷基或二价芳烷基；R5 是氢或具有 1 至 20 个碳原子的烷基或芳烷基；且 R4 加 R5 中的碳原子总数至少为 9。 当单取代基二硫代草酰氨与过渡金属阳离子络合时，得到的聚合物基本上呈深色，即蓝色或蓝黑色，这种材料是首选材料。本文介绍了使用 N-（单取代）二硫代恶酰胺的无碳纸结构。
• Preparation of monosubstituted dithiooxamide compounds
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0431783A1

  公开（公告）日：1991-06-12

  This invention relates to the synthesis of N-­(monosubstituted)dithiooxamides by the transamination of dithiooxamide. Preferred methods, according to the present invention, take advantage of the discovery that yields of N-(monosubstituted)dithiooxamides can be improved in the Wallach Reaction by: controlling the temperature of the reaction mixture; optimizing the initial concentration of the reactants; adding an effective amount of acid in the quenching or processing procedure; and/or, optionally, adding an effective amount of certain nitrogen bases to the reaction mixture.

  本发明涉及通过二硫代草酰氨的反式合成 N-(单取代)二硫代草酰氨。根据本发明，优选的方法利用了以下发现：通过控制反应混合物的温度；优化反应物的初始浓度；在淬火或处理过程中加入有效量的酸；和/或，选择性地在反应混合物中加入有效量的某些氮碱，可以提高瓦拉几反应中 N-（单取代）二硫代恶酰胺的产量。
• US5041654A
  申请人：——

  公开号：US5041654A

  公开（公告）日：1991-08-20
• US5124308A
  申请人：——

  公开号：US5124308A

  公开（公告）日：1992-06-23