N,N''-butanediyl-di-urea | 53497-44-2

• 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''-butanediyl-di-urea
• 英文别名: N,N''-Butandiyl-di-harnstoff；Urea, N,N''-1,4-butanediylbis-；4-(carbamoylamino)butylurea
• CAS: 53497-44-2
• 化学式: C₆H₁₄N₄O₂
• 分子量: 174.203
• InChiKey: HZRUPLCJIKCQKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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''-butanediyl-di-urea 在 sodium nitrite 作用下， 生成 N,N'-Tetramethylen-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：

  异环己酰亚胺 在 乙醚 、 氨 作用下， 生成 N,N''-butanediyl-di-urea
  参考文献：
  名称：

  Petersen, Justus Liebigs Annalen der Chemie, 1949, vol. 562, p. 210,220

  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。
• Ammonia versus Water Elimination in the Reaction of Diols with Urea under Metal Oxide Catalysis
  作者：Francesco Nocito、Marco Bortoluzzi、Michele Aresta、Angela Dibenedetto

  DOI：10.1021/acscatal.2c06146

  日期：2023.4.21

  activity and quite different properties in promoting ammonia or water elimination. Their different behavior has been explained with the help of density functional theory (DFT) calculations. Contrary to ZnO that is dissolved as Zn(NH3)2(NCO)2 in the reaction medium, preventing the recovery of the oxide, CeO2 does not dissolve in the reaction mixture and can easily and quantitatively be recovered and reused

  这篇文章介绍了尿素 O=C(NH 2 ) 2与生物来源的二醇 HO(CH 2 ) n OH ( n = 3, 4) 在廉价且丰富的多相催化剂的驱动下发生的有趣且具有挑战性的反应。通过调整催化剂和反应条件，可以促进-NH 2之间氨（可回收）和水的分级消除和 HO-功能，在温和条件下产生多种化合物。因此，可以制备环状碳酸酯、线性单氨基甲酸酯和二氨基甲酸酯、环状氨基甲酸酯，甚至是低聚氨基甲酸酯，非异氰酸酯聚氨酯 (NIPUR) 的潜在前体，甚至具有高产率和选择性。已经测试了多种催化剂。ZnO和CeO 2在促进氨或水消除方面表现出高活性和完全不同的性质。它们的不同行为已在密度泛函理论 (DFT) 计算的帮助下得到解释。与在反应介质中溶解为 Zn(NH 3 ) 2 (NCO) 2的 ZnO 不同，它阻止了氧化物 CeO 2的回收不溶于反应混合物，可以很容易地定量回收和再利用。CeO 2被证明能够促进
• PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP3173408A1

  公开（公告）日：2017-05-31

  The present invention provides a compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof which has an excellent NHE3 inhibitory effect:         [Formula 15]     A-Y [1] wherein A represents a structure represented by the following formula [2]: wherein R11 and R12 each represent a halogen atom or the like, R2 represents C1-6 alkyl or the like, ring E represents triazole, tetrazole, pyrimidine, or the like, R31 and R32 each represent a hydrogen atom, C1-6 alkyl, C1-6 alkoxy, or the like, and W represents a single bond, the formula -NH-, the formula -O-, or the formula -CONH-, and Y represents a hydrogen atom or a structure represented by the following formula [3']:

  本发明提供了由下式[1]代表的化合物或其药学上可接受的盐，该化合物具有极佳的 NHE3 抑制作用： [式 15] A-Y [1］ 其中 A 代表下式[2]所代表的结构： 其中 R11 和 R12 分别代表卤素原子或类似物、 R2 代表 C1-6 烷基或类似物、 环 E 代表三唑、四唑、嘧啶或类似物、 R31 和 R32 各自代表氢原子、C1-6 烷基、C1-6 烷氧基或类似物，以及 W 代表单键、式-NH-、式-O-或式-CONH-，以及 Y 代表氢原子或下式[3']所代表的结构：
• 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。