1,5-diisothiocyanatopentane | 52714-53-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 1,5-diisothiocyanatopentane
• CAS: 52714-53-1
• 化学式: C₇H₁₀N₂S₂
• 分子量: 186.302
• InChiKey: UCLIIKTUBAADTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,5-diisothiocyanatopentane 在 氨 、 水 作用下， 生成 N,N''-pentanediyl-bis-thiourea
  参考文献：
  名称：

  Iwakura; Koyama, Kobunshi Kagaku, 1951, vol. 8, p. 309,312

  摘要：

  DOI：
• 作为产物：
  描述：

  在 盐酸 作用下， 以 氯仿 为溶剂， 反应 0.25h， 生成 1,5-diisothiocyanatopentane
  参考文献：
  名称：

  2-氨基-2-脱氧-d-葡萄糖和相关氨基醇作为N-乙酰基-β-d-己糖胺酶抑制剂的脲基和硫脲基衍生物的合成及生物学评价

  摘要：

  制备2-乙酰氨基-2-脱氧-β-D-葡萄糖，1-氨基-1-脱氧-D-葡萄糖醇和2-（2-氨基乙氧基）乙醇的脲基和硫脲基衍生物，作为N-乙酰基-β-D-。己糖胺酶（NAHase）抑制剂，并在阴道毛滴虫NAHase上进行了评估。尽管没有一种酶在100 microM时显示出对酶的完全抑制作用，但是1-amino-1-deoxy-D-D-葡萄糖醇衍生物却充当了阴道链球菌NAHase的竞争性抑制剂。

  DOI：

  10.1016/s0008-6215(98)00286-9

文献信息

• Synthesis of new antimicrobials. IV. Synthesis of alkylenebis-(thiourea) derivatives and their related compounds.
  作者：TAKAHIRO YABUUCHI、MASAKATU HISAKI、MASAHIRO MATUDA、RYUICHI KIMURA

  DOI：10.1248/cpb.23.663

  日期：——

  In order to examine the antimicrobial activity, alkylenebis (thiourea) derivatives and their related compounds were synthesized. 3, 3'-Substituted 1, 1'-alkylene-bis-(thiourea) derivatives were prepared from alkylenebis (isothiocyanates) and amines. Also 3, 3'-alkylene-bis [2-thio-2, 4 (1H, 3H)-quinazolinediones] were prepared by the reaction of alkylenebis (isothiocyanates) and anthranilic acid, or alkylene diamines and ethyl o-isothiocyanatobenzoate respectively.

  为了研究抗菌活性，合成了烷撑双(硫脲)衍生物及其相关化合物。通过烷撑双(异硫氰酸酯)与胺的反应，制备了3,3'-取代的1,1'-烷撑双(硫脲)衍生物。同时，通过烷撑双(异硫氰酸酯)与邻氨基苯甲酸，或者烷撑二胺与邻异硫氰酸酯苯甲酸乙酯的反应，分别制备了3,3'-烷撑双[2-硫-2,4(1H,3H)-喹唑啉二酮]。
• Synthesis and Anion Binding Ability of Metacyclophane-Based Cyclic Thioureas
  作者：Yoshito Tobe、Shin-ichi Sasaki、Masaaki Mizuno、Koichiro Naemura

  DOI：10.1246/cl.1998.835

  日期：1998.8

  Cyclophanes having two thiourea groups were synthesized and their anion binding ability was examined by titration method using 1H-NMR spectroscopy. Strong and selective anion binding of the preorganized cyclic receptors was observed in the general order of H2PO4− > CH3COO− > Cl− > HSO4− > Br−.

  合成了具有两个硫脲基团的环芳烃，并通过滴定法使用 1 H-NMR 光谱检测了它们的阴离子结合能力。按照 H2PO4− > CH3COO− > Cl− > HSO4− > Br− 的一般顺序观察到预先组织的环状受体的强和选择性阴离子结合。
• SYNTHESIS OF POLYMETHYLENEBISISOTHIOCYANATES
  作者：G. D. Thorn、B. Huston

  DOI：10.1139/v59-309

  日期：1959.12.1

  not available

  无法使用。
• Amine terminated block copolymers and processes for their preparation
  申请人：THE FIRESTONE TIRE & RUBBER COMPANY

  公开号：EP0002196A1

  公开（公告）日：1979-06-13

  Polymers of anionically polymerized monomers such as mono-olefins, conjugated dienes, vinyl substituted aromatics, vinyl substituted pyridine, vinyl substituted quinolines, various aldehydes, various epoxides. various oxetanes, various oxygen-containing compounds, and the like are produced and end capped witb a polyisocyanate. or polyisothiocyanate having the formula R(N=C=X)n wherein R is a hydrocarbon, n is 2 or 3, and X is oxygen or sulfur. Such end capped polymers, of course, contain one reacted or connected isocyanate or isothiocyanate group and at least one free isocyanate or isothiocyanate end group, which free end group(s) reacts with an amide to give an imide end group. The imide terminated polymer is then hydrolyzed to form a stable amine terminated polymer. The reaction of the amide compound with the isocyanate(s) or isothiocyanate(s), followed by hydrolysis, results in the replacement of the free isocyanate or isothiocyanate end group(s) with an amine group(s). Thus, the amine terminated polymer contains the polymer connected to an isocyanate or isothiocyanate group (now an amide group or a thioamide group), which in turn is attached to the hydrocarbon portion, that is, the "R" portion of the polyisocyanate, which in turn is connected to the formed amine group. The amine terminated polymers may be stored extended periods of time and then reacted with various polymers, prepolymers, monomers, or various combinations thereof to form various block or graft copolymers. That is, the amine terminated polymer may be subsequently reacted with any amine reactive compound such as diepoxy monomers or an epoxy prepolymer in the presence of known epoxy catalysts to give a blocked epoxy copolymer. Similarly, the amine terminated polymer may be reacted with urea prepolymers or urea-forming monomers to yield a block urea copolymer. Reaction of the amine terminated polymer with urethane polymers, urethane prepolymers, or urethane-forming monomers will yield a urethane block copolymer. Reaction of the amine terminated polymer with urethane-urea prepolymers or urethane-urea forming monomers will yield a urethane-urea block copolymer. Similarly, various dianhydride and diamine monomers may be utilized to form an imide block copolymer.

  生产阴离子聚合单体（如单烯烃、共轭二烯、乙烯基取代的芳烃、乙烯基取代的吡啶、乙烯基取代的喹啉、各种醛、各种环氧化物、各种氧杂环丁烷、各种含氧化合物等）的聚合物，并用具有式 R(N=C=X)n 的多异氰酸酯或多异硫氰酸酯封端，其中 R 是烃，n 是 2 或 3，X 是氧或硫。当然，这种末端封端的聚合物包含一个已反应或连接的异氰酸酯或异硫氰酸酯基团和至少一个游离的异氰酸酯或异硫氰酸酯末端基团，游离的末端基团与酰胺反应生成亚胺末端基团。然后，酰亚胺端基聚合物水解形成稳定的胺端基聚合物。酰胺化合物与异氰酸酯或异硫氰酸盐反应后水解，游离的异氰酸酯或异硫氰酸盐端基会被胺基团取代。因此，胺封端聚合物含有与异氰酸酯或异硫氰酸酯基团（现为酰胺基团或硫代酰胺基团）相连的聚合物，而异氰酸酯或异硫氰酸酯基团又与多异氰酸酯的烃部分，即 "R "部分相连，而 "R "部分又与形成的胺基团相连。胺封端聚合物可长期储存，然后与各种聚合物、预聚物、单体或其各种组合反应，形成各种嵌段或接枝共聚物。也就是说，胺封端聚合物随后可以在已知环氧催化剂的存在下，与任何胺活性化合物（如二环氧单体或环氧预聚物）反应，生成嵌段环氧共聚物。同样，胺封端聚合物也可与脲预聚物或脲形成单体反应，生成嵌段脲共聚物。胺封端聚合物与氨基甲酸乙酯聚合物、氨基甲酸乙酯预聚物或氨基甲酸乙酯形成单体反应，可生成氨基甲酸乙酯嵌段共聚物。胺封端聚合物与氨基甲酸乙酯-尿素预聚物或氨基甲酸乙酯-尿素形成单体反应将产生氨基甲酸乙酯-尿素嵌段共聚物。同样，各种二酐和二胺单体也可用于形成酰亚胺嵌段共聚物。
• Direct synthesis by cationic polymerization of nitrogen-containing polymers
  申请人：EXXON CHEMICAL PATENTS INC.

  公开号：EP0349195A2

  公开（公告）日：1990-01-03

  A method is provided for the direct synthesis of novel polymeric materials functionalized with desirable nitrogen-containing functional groups such as terminal azido, cuano, carbonylamino or thiocarbonylamino groups. Polymerization and functionalization occur in a substantially simultaneous manner. All necessary reactants for the functionalization are present when polymerization is initiated. The nitrogen-containing functional group is provided as a part of a molecule having a release moiety which is preferably resonance stabilized or of tertiary alkyl type and which acts to aid the nitrogen-containing species in functioning as a leaving group.

  本发明提供了一种直接合成新型聚合物材料的方法，该材料具有理想的含氮官能团，如末端叠氮基、氨基、羰基氨基或硫代羰基氨基。聚合和官能化基本上是同时进行的。聚合开始时，官能化所需的所有反应物都已存在。含氮官能团是作为分子的一部分提供的，该分子具有释放基，释放基最好是共振稳定的或叔烷基类型的，其作用是帮助含氮物质作为离去基团发挥作用。