1-phenyl-3-propylcarbodiimide | 92971-62-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-phenyl-3-propylcarbodiimide
• 英文别名: N-Phenyl-N'-n-propylcarbodiimid；Phenyl-propyl-carbodiimid
• CAS: 92971-62-5
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: KLEFKJZUWJRMCT-UHFFFAOYSA-N

物化性质

• 沸点：
  81-82 °C(Press: 0.9 Torr)
• 密度：
  0.92±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  正丙胺 、 二氯代苯胩 生成 1-phenyl-3-propylcarbodiimide
  参考文献：
  名称：

  Kuehle,E. et al., Angewandte Chemie, 1969, vol. 81, p. 18 - 32

  摘要：

  DOI：

文献信息

• Solution-Phase Parallel Syntheses of Herbicidal 1-Phenyl-2,4,5- Imidazolidinetriones and 2-Thioxo-4,5-Imidazolidinediones
  作者：Bin Li、Ying Man、Li-Ping Bai、Hai-Ying Ji、Xue-Geng Shi

  DOI：10.2174/1386207311301010010

  日期：2013.1.1

  In order to find new herbicidally active compounds, a fifteen-member library, focusing on the variation of 3- position substituents of 2,4,5-imidazolidine-trione or 2-thioxo-4,5-imidazolidinedione, was designed and prepared in parallel by the reaction of various ureas or thioureas with oxalyl chloride using solution-phase technology. An interesting and, to the best of our knowledge, unprecedented finding is that a by-product of 1-phenyl-3-propylcarbodiimide was formed during the addition of oxalyl chloride into the solution of 1-phenyl-3-propylthiourea in the presence of triethylamine in dichloromethane. It has been shown that the herbicidal activity of 2,4,5-imidazolidinetriones is about the same as that of their analogous 2-thioxo-4,5-imidazolidinediones. Compound with propyl or isopropyl group at the 3- position of 2,4,5-imidazolidinetrione ring demonstrated good herbicidal activity. The most active compound, 1-(2-fluoro- 4-chloro-5-propargyloxy)-phenyl-3-propyl-2-thioxo-4,5-imidazolidinedione, gave 95% control of the growth of velvetleaf at 200 g/ha in the post-emergence test.

  为了寻找新的具有除草活性的化合物，我们设计了一个由 15 个成员组成的化合物库，该化合物库侧重于 2,4,5-咪唑烷-三酮或 2-硫酮-4,5-咪唑烷二酮的 3 位取代基的变化，并采用溶液相技术，通过各种脲类或硫脲类化合物与草酰氯的反应进行平行制备。据我们所知，一个有趣的、前所未有的发现是，在二氯甲烷中有三乙胺存在的情况下，草酰氯加入 1-苯基-3-丙基硫脲的溶液中，形成了 1-苯基-3-丙基碳二亚胺的副产物。研究表明，2,4,5-咪唑烷三酮的除草活性与类似的 2-硫酮-4,5-咪唑烷二酮的除草活性大致相同。在 2,4,5-咪唑烷三酮环的 3-位上带有丙基或异丙基的化合物具有良好的除草活性。最有效的化合物是 1-（2-氟-4-氯-5-丙酰氧基）-苯基-3-丙基-2-硫酮-4,5-咪唑烷二酮，在萌发后试验中，每公顷用量为 200 克时，对绒毛菜生长的控制率为 95%。
• Rubber-like polymers for tire treads, a process for their preparation, and compositions containing said polymers
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP0252992A1

  公开（公告）日：1988-01-20

  Rubbery polybutadiene or rubbery butadiene-styrene copolymer suited for a tire tread, which is obtained by polymerization in the presence of an organolithium catalyst and reacting the active living site with a carbodiimide and, If necessary, a tri-functional or higher functional coupling agent. Process for its production and composition containing it in an amount above a predetermined level are also disclosed.

  适用于轮胎胎面的橡胶聚丁二烯或橡胶丁二烯-苯乙烯共聚物，在有机锂催化剂存在下通过聚合反应获得，其活性活部位与碳化二亚胺反应，必要时与三官能或更高官能偶联剂反应。此外，还公开了其生产工艺和含量超过预定水平的组合物。
• TERMINAL-MODIFIED BLOCK COPOLYMER AND COMPOSITION CONTAINING SAID COPOLYMER
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0245505A1

  公开（公告）日：1987-11-19

  A terminal-modified block copolymer wherein an amino group- or amino group-containing, terminal-treating agent is bound to the terminals of the polymer. It is obtained by reacting the active terminals of a block copolymer of a conjugated diene with a vinylaromatic hydrocarbon comprising 5 to 95 % of a vinylaromatic hydrocarbon and having a number- average molecular weight of 5,000 to 1,000,000 (obtained by using at least one member selected from among alkali metals and organic alkali metal compounds as a polymerization initiator) with at least one terminal-treating agent selected from among imide compounds, cyanamide compounds, aziridinyl compounds, amide compounds, and other tertiary amino group-containing compounds. A pressure-sensitive adhesive composition excellent in adhesiveness and anti-creeping properties comprising said block copolymer and a tackifying resin, a water-absorbing composition comprising said block copolymer and a highly water-absorbing resin, a thermoplastic resin composition comprising said block copolymer and a thermoplastic resin, and a conductive composition comprising said block copolymer and a conductive material are also disclosed.

  一种末端改性嵌段共聚物，其中一种含氨基或氨基基团的末端处理剂与聚合物的末端结合。它是通过将共轭二烯与乙烯基芳烃的嵌段共聚物的活性末端与至少一种末端处理剂反应而得到的，该末端处理剂选自亚胺化合物、氰胺化合物、氮杂环丁基化合物、酰胺化合物和其他含三级氨基基团的化合物，乙烯基芳烃的含量为 5%至 95%，平均分子量为 5,000 至 1,000,000 （通过使用至少一种选自碱金属和有机碱金属化合物的成员作为聚合引发剂而得到）。此外，还公开了由所述嵌段共聚物和增粘树脂组成的粘合性和防蠕变性能优异的压敏胶组合物、由所述嵌段共聚物和高吸水性树脂组成的吸水组合物、由所述嵌段共聚物和热塑性树脂组成的热塑性树脂组合物以及由所述嵌段共聚物和导电材料组成的导电组合物。
• Compositions containing a terminal-modified block copolymer
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0473206A2

  公开（公告）日：1992-03-04

  An adhesive composition excellent in tackiness, adhesiveness, and creep resistance characteristic which comprises said block copolymer and a tackifier resin, a water-absorbing composition comprising said block copolymer and a highly water-absorbing resin, a thermoplastic resin composition comprising said block copolymer and a thermoplastic resin, and an electroconductive composition comprising said block copolymer and an electroconductive material, which consists of a terminal-modified block copolymer having the rest of the terminal-treating agent bonded to the polymer terminal which is obtained by treating the active terminal of a block copolymer comprising conjugated dienes and vinylaromatic hydrocarbon compounds which is obtained by using as the polymerization initiator at least one member selected from alkali metals or organoalkali metals and has a vinylaromatic hydrocarbon content of 5 to 95% by weight and a number average molecular weight of 5,000 to 1,000,000.

  一种粘合剂组合物，具有优异的粘性、粘附性和抗蠕变性，由所述嵌段共聚物和增粘树脂、由所述嵌段共聚物和高吸水性树脂组成的吸水组合物、由所述嵌段共聚物和热塑性树脂组成的热塑性树脂组合物以及由所述嵌段共聚物和导电材料组成的导电组合物构成、其中包括一种末端改性嵌段共聚物，其末端处理剂的其余部分与聚合物末端结合，该聚合物末端是通过处理由共轭二烯和乙烯基芳烃化合物组成的嵌段共聚物的活性末端而获得的，该嵌段共聚物是通过使用至少一种选自碱金属或有机碱金属的成员作为聚合引发剂而获得的，其乙烯基芳烃含量为 5%至 95%（按重量计），平均分子量为 5,000 至 1,000,000 。
• Tire tread composition
  申请人：BRIDGESTONE CORPORATION

  公开号：EP0572792A1

  公开（公告）日：1993-12-08

  The present invention relates to a composition comprising an elastomeric polymer functionally modified by a terminal group, and carbon black particles dispersed therein, with at least 10 percent by weight of said carbon black being oxidized carbon black.

  本发明涉及一种组合物，该组合物包含一种经末端基团功能改性的弹性聚合物，以及分散在其中的炭黑颗粒，按重量计，所述炭黑中至少有 10% 为氧化炭黑。