N,N'-Bis-carbamoyl-pentamethylendiamin | 57031-52-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: N,N'-Bis-carbamoyl-pentamethylendiamin
• 英文别名: N,N''-pentanediyl-di-urea；N,N''-Pentandiyl-di-harnstoff；5-(Carbamoylamino)pentylurea
• CAS: 57031-52-4
• 化学式: C₇H₁₆N₄O₂
• 分子量: 188.23
• InChiKey: CFLXOHNKSLXFBW-UHFFFAOYSA-N

物化性质

• 沸点：
  358.5±38.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  13
• 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：
  110
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N'-Bis-carbamoyl-pentamethylendiamin 生成 N,N'-Pentamethylen-bis-
  参考文献：
  名称：

  Lieser; Beck, Chemische Berichte, 1950, vol. 83, p. 137,139

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-diisocyanatopentane 在 氨 、 水 作用下， 生成 N,N'-Bis-carbamoyl-pentamethylendiamin
  参考文献：
  名称：

  Iwakura et al., Kobunshi Kagaku, 1951, vol. 8, p. 524,526

  摘要：

  DOI：

文献信息

• ISOTHIOCYANATE PRODUCTION METHOD, COMPOSITION FOR TRANSPORTING AND STORING N-SUBSTITUTED O-SUBSTITUTED THIOCARBAMATE, AND ISOTHIOCYANATE COMPOSITION
  申请人：ASAHI KASEI CHEMICALS CORPORATION

  公开号：US20160016901A1

  公开（公告）日：2016-01-21

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  该发明涉及一种使用有机初级胺和硫脲作为起始原料的异硫氰酸酯生产方法；一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的羰基的当量重量比在1到100的范围内；一种用于运输和储存具有硫脲基团的化合物的组合物，包括具有硫脲基团的化合物和羟基化合物，羟基化合物的羟基与具有硫脲基团的化合物的硫脲基团的当量重量比在1到100的范围内；以及含有异硫氰酸酯和具有特定功能基团的化合物的异硫氰酸酯组合物。
• ISOTHIOCYANATE COMPOSITION
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP3214071A1

  公开（公告）日：2017-09-06

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。
• ISOTHIOCYANATE PRODUCTION METHODS
  申请人：Asahi Kasei Chemicals Corporation

  公开号：EP3363785A1

  公开（公告）日：2018-08-22

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。
• Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US10308601B2

  公开（公告）日：2019-06-04

  The present invention relates to an isothiocyanate production method using an organic primary amine and thiourea as starting materials; to a composition for transporting and storing an N-substituted O-substituted thiocarbamate that includes an N-substituted O-substituted thiocarbamate and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the carbamate groups of the N-substituted O-substituted thiocarbamate being in the range of 1 to 100; to a composition for transporting and storing a compound with a thioureido group that includes a compound with a thioureido group and a hydroxy compound, the equivalent weight ratio of hydroxy groups of the hydroxy compound with respect to the thioureido groups of the compound with a thioureido group being in the range of 1 to 100; and to an isothiocyanate composition containing an isothiocyanate and a compound with a specific functional group.

  本发明涉及一种以有机伯胺和硫脲为起始原料的异硫氰酸盐生产方法；涉及一种用于运输和储存N-取代O-取代硫代氨基甲酸酯的组合物，该组合物包括N-取代O-取代硫代氨基甲酸酯和羟基化合物，羟基化合物的羟基与N-取代O-取代硫代氨基甲酸酯的氨基甲酸酯基团的当量重量比在1至100之间；运输和储存硫代氨基化合物的组合物，其中包括硫代氨基化合物和羟基化合物，羟基化合物的羟基与硫代氨基化合物的硫代氨基的当量重量比在 1 至 100 之间；以及 异硫氰酸盐组合物，其中包括异硫氰酸盐和具有特定官能团的化合物。
• 一种利用1,5戊二胺羰化制备1,5戊二氨基甲酸酯的方法
  申请人：中国科学院过程工程研究所

  公开号：CN115073326A

  公开（公告）日：2022-09-20

  本发明涉及一种利用1,5戊二胺羰化制备1,5戊二氨基甲酸酯的方法，所述方法包括：将1,5戊二胺、羰化剂、催化剂和溶剂进行混合后依次进行初步羰化反应和深度羰化反应，得到1,5戊二氨基甲酸酯；所述初步羰化反应的温度＜所述深度羰化反应的温度。本发明提供的方法，通过采用初步羰化和深度羰化两个反应阶段，初步羰化阶段主要是反应物料在比较低温度条件下进行羰化反应，深度羰化阶段采用的是在比较高的反应温度下进行羰化反应分离过程，这样能够提高1,5戊二胺的转化率，同时还能降低副反应的生成，提高1,5戊二氨基甲酸酯的选择性。