4,4,6-Trimethyl-1,4,5,6-tetrahydro-pyrimidin | 1615-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,4,6-Trimethyl-1,4,5,6-tetrahydro-pyrimidin
• 英文别名: 4,4,6-Trimethyl-3,4,5,6-tetrahydropyrimidine；4,6,6-trimethyl-4,5-dihydro-1H-pyrimidine
• CAS: 1615-05-0
• 化学式: C₇H₁₄N₂
• mdl: MFCD19219104
• 分子量: 126.202
• InChiKey: KXCXAYIXKHLEPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  Hexahydro-4,4,6-trimethyl-pyrimidin 在 氧化钴 作用下， 反应 9.0h， 以at 185°-190° C. yielded 10% of 4,4,6-trimethyl-3,4,5,6-tetrahydropyrimidine的产率得到4,4,6-Trimethyl-1,4,5,6-tetrahydro-pyrimidin
  参考文献：
  名称：

  .DELTA.-2 Tetrahydropyrimidines as corrosion inhibitors

  摘要：

  将至少在2位上具有一个氢原子的2,3,4,5-四氢嘧啶(.DELTA.-1)转化为3,4,5,6-四氢嘧啶(.DELTA.-2)的过程，包括对所述.DELTA.-1四氢嘧啶进行氢化和脱氢。这种氢化和脱氢可以在两个连续步骤或一步中完成。所述.DELTA.-1四氢嘧啶也可以通过在基本无溶剂存在的情况下加热，优选在碱性条件下进行转化为.DELTA.-2四氢嘧啶。此外，相应的六氢嘧啶酰胺可以通过脱氢转化为相应的.DELTA.-2四氢嘧啶。本发明还涉及使用.DELTA.-2四氢嘧啶，特别是作为防腐剂。

  公开号：

  US04212843A1

文献信息

• Preparation of .DELTA.-2 tetrahydropyrimidines
  申请人：Petrolite Corporation

  公开号：US04146714A1

  公开（公告）日：1979-03-27

  A process of converting 2,3,4,5-tetrahydropyrimidines (.DELTA.-1) having at least one hydrogen in the 2-position to 3,4,5,6-tetrahydropyrimidines (.DELTA.-2), which comprises hydrogenating and dehydrogenating said .DELTA.-1 tetrahydropyrimidines. Such hydrogenating and dehydrogenating may be done in either two sequential steps or in one step. Said .DELTA.-1 tetrahydropyrimidines can also be converted to .DELTA.-2 tetrahydropyrimidines by heating in the essential absence of a solvent, and preferably under basic conditions. In addition, corresponding hexahydropyrimidines can be converted to corresponding .DELTA.-2 tetrahydropyrimidines by dehydrogenation. This invention also relates to the use of .DELTA.-2 tetrahydropyrimidines, particularly as corrosion inhibitors.

  将至少在2位具有一个氢原子的2,3,4,5-四氢嘧啶（Δ-1）转化为3,4,5,6-四氢嘧啶（Δ-2）的过程，包括对所述Δ-1四氢嘧啶进行氢化和脱氢。这种氢化和脱氢可以通过两个连续步骤或一个步骤来完成。所述Δ-1四氢嘧啶也可以通过在基本无溶剂存在的情况下加热，最好在碱性条件下进行，转化为Δ-2四氢嘧啶。此外，相应的六氢嘧啶可以通过脱氢转化为相应的Δ-2四氢嘧啶。本发明还涉及使用Δ-2四氢嘧啶，特别是作为缓蚀剂。
• US4146714A
  申请人：——

  公开号：US4146714A

  公开（公告）日：1979-03-27
• US9783933B2
  申请人：——

  公开号：US9783933B2

  公开（公告）日：2017-10-10
• .DELTA.-2 Tetrahydropyrimidines as corrosion inhibitors
  申请人：Petrolite Corporation

  公开号：US04212843A1

  公开（公告）日：1980-07-15

  A process of converting 2,3,4,5-tetrahydropyrimidines (.DELTA.-1) having at least one hydrogen in the 2-position to 3,4,5,6-tetrahydropyrimidines (.DELTA.-2) which comprises hydrogenating and dehydrogenating said .DELTA.-1 tetrahydropyrimidines. Such hydrogenating and dehydrogenating may be done in either two sequential steps or in one step. Said .DELTA.-1 tetrahydropyrimidines can also be converted to .DELTA.-2 tetrahydropyrimidines by heating in the essential absence of a solvent, and preferably under basic conditions. In addition, corresponding hexahydropyrimidimidines can be converted to corresponding .DELTA.-2 tetrahydropyrimidines by dehydrogenation. This invention also relates to the use of .DELTA.-2 tetrahydropyrimidines, particularly as corrosion inhibitors.

  将至少在2位上具有一个氢原子的2,3,4,5-四氢嘧啶(.DELTA.-1)转化为3,4,5,6-四氢嘧啶(.DELTA.-2)的过程，包括对所述.DELTA.-1四氢嘧啶进行氢化和脱氢。这种氢化和脱氢可以在两个连续步骤或一步中完成。所述.DELTA.-1四氢嘧啶也可以通过在基本无溶剂存在的情况下加热，优选在碱性条件下进行转化为.DELTA.-2四氢嘧啶。此外，相应的六氢嘧啶酰胺可以通过脱氢转化为相应的.DELTA.-2四氢嘧啶。本发明还涉及使用.DELTA.-2四氢嘧啶，特别是作为防腐剂。