5,5-二甲基-1,3-二嗪农-2-酮 | 17496-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5,5-二甲基-1,3-二嗪农-2-酮
• 中文别名: 5,5-二甲基-1,3-重氮基己环-2-酮
• 英文名称: tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone
• 英文别名: 5,5-dimethyltetrahydro-2(1H)-pyrimidinone；5,5-dimethyl-1,4,5,6-tetrahydropyrimidine-2-one；5,5-dimethyltetrahydropyrimidin-2(1H)-one；5,5-dimethyltetrahydropyrimidin-2-one；5,5-dimethyl-2-oxo-tetrahydro-pyrimidine；5,5-Dimethyl-tetrahydro-pyrimidin-2-on；5,5-dimethyl-hexahydropyrimidine-2-on；2-Oxo-5,5-dimethylhexahydropyrimidin；5,5-Dimethyl-1,3-diazinan-2-one
• CAS: 17496-93-4
• 化学式: C₆H₁₂N₂O
• 分子量: 128.174
• InChiKey: YHLVEHXOBBYATA-UHFFFAOYSA-N

物化性质

• 熔点：
  255-257 °C
• 沸点：
  295.7±9.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  5,5-二甲基-1,3-二嗪农-2-酮 在 一水合肼 作用下， 反应 5.0h， 以91.2%的产率得到2-hydrazino-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine hydrochloride
  参考文献：
  名称：

  一种氟蚁腙的合成工艺

  摘要：

  本发明提供一种氟蚁腙的合成工艺，包括2‑肼基‑5,5‑二甲基‑1,4,5,6‑四氢化嘧啶盐酸盐和1,5‑双(4‑三氟甲基苯基)‑1,4‑戊二烯‑3‑酮的制备，以及以二者为原料，以异丙醇或乙醇为溶剂，在浓盐酸的作用下生成氟蚁腙。本发明通过改变合成工艺，提高反应效率。2‑肼基‑5,5‑二甲基‑1,4,5,6‑四氢化嘧啶盐酸盐的收率从78％提高到90％以上。1,5‑双(4‑三氟甲基苯基)‑1,4‑戊二烯‑3‑酮的收率从文献报道的83％也提高到90％以上。

  公开号：

  CN105481776B
• 作为产物：
  描述：

  N,N'-(2,2-dimethyl-propanediyl)-bis-carbamic acid diethyl ester 生成 5,5-二甲基-1,3-二嗪农-2-酮
  参考文献：
  名称：

  2,2-Disubstituted-1,3-propanediamines and Related Diurethans, Diureides and Hexahydropyrimidin-2-ones

  摘要：

  DOI：

  10.1021/ja01571a046

文献信息

• Pyrroloquinolones as antiviral agents
  申请人：——

  公开号：US20020055636A1

  公开（公告）日：2002-05-09

  The present invention provides a compound of formula I 1 which is useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物，其化学式为I，可用作抗病毒剂，特别是用于抗击疱疹病毒家族的药剂。
• Copper-catalyzed oxidative desulfurization–oxygenation of thiocarbonyl compounds using molecular oxygen: an efficient method for the preparation of oxygen isotopically labeled carbonyl compounds
  作者：Fumitoshi Shibahara、Aiko Suenami、Atsunori Yoshida、Toshiaki Murai

  DOI：10.1039/b701048f

  日期：——

  A novel copper-catalyzed oxidative desulfurization reaction of thiocarbonyl compounds, using molecular oxygen as an oxidant and leading to formation of carbonyl compounds, has been developed, and the utility of the process is demonstrated by its application to the preparation of a carbonyl-18O labeled sialic acid derivative.

  已开发出一种新型的铜催化的硫代羰基化合物的氧化脱硫反应，该方法使用分子氧作为氧化剂并导致羰基化合物的形成，该方法的实用性通过将其用于制备标记的羰基-18O得以证明。唾液酸衍生物。
• Process for producing cyclic ureas
  申请人：Mitsui Toatsu Chemicals, Inc.

  公开号：US04918186A1

  公开（公告）日：1990-04-17

  A process for producing a cyclic urea is provided. The process comprises reacting a diamine expressed by the formula (II) R-HN-R'-NH-R (II) wherein R represents hydrogen atom or a lower alkyl group and R' represent dimethylene group, a lower alkyl group-substituted dimethylene group, trimethylene group, a lower alkyl group-substituted trimethylene group, tetramethylene group, a lower alkyl group-substituted tetramethylene group, but a case where R represents hydrogen atom and R' represent dimethylene group, a case where R represents hydrogen atom and R' represents a lower alkyl group-substituted dimethylene group and a case where R represent methyl group and R' represents dimethylene group are excluded, with phosgene in the presence of a dehydrochlorinating agent. In the process, the diamine is first converted to its hydrochloride, followed by reacting the hydrochloride with phosgene in water solvent while maintaining a pH of the reaction liquid in the range of 5.0 to 8.0 by said dehydrochlorinating agent to obtain a cyclic urea expressed by the formula (I) ##STR1## wherein R and R' are each as defined above.

  提供了一种生产环脲的方法。该方法包括在存在脱氯化剂的情况下，使式（II）R-HN-R'-NH-R（II）表示的二胺与光气发生反应，其中R代表氢原子或较低的烷基基团，R'代表二甲基基团、较低的烷基基团取代的二甲基基团、三亚甲基基团、较低的烷基基团取代的三亚甲基基团、四亚甲基基团、较低的烷基基团取代的四亚甲基基团，但排除了R代表氢原子且R'代表二甲基基团、R代表氢原子且R'代表较低的烷基基团取代的二甲基基团以及R代表甲基基团且R'代表二甲基基团的情况。在该过程中，首先将二胺转化为其盐酸盐，然后将盐酸盐与光气在水溶剂中反应，同时通过所述的脱氯化剂将反应液的pH维持在5.0至8.0范围内，以获得式（I）所表示的环脲，其中R和R'如上所定义。
• Facile synthesis of a chiral urea bridged bisoxazoline ligand and structural characterization of its bis-copper(ii)-chloride complex
  作者：Rudrajit Mal、Nisha Mittal、Thomas J. Emge、Daniel Seidel

  DOI：10.1039/b918735a

  日期：——

  A facile synthesis of a new bisoxazoline ligand is described. This ligand contains a urea bridging unit and is capable of stabilizing bimetallic complexes. An X-ray crystal structure of a bis-copper complex is reported.

  描述了一种新型双噁唑啉配体的简便合成方法。这种配体包含一个尿素桥接单元，能够稳定双金属复合物。报道了一个双铜复合物的X射线晶体结构。
• Propylene ureas and process for their preparation
  申请人：Dainippon Ink and Chemicals, Inc.

  公开号：US06348594B2

  公开（公告）日：2002-02-19

  Urea derivatives of formula 1 for the hardening of hydroxyl group-containing polymers, wherein each of R1-R7 is a hydrogen atom or a linear or branched C1-C4-alkyl group, preferably methyl, ethyl, n-propyl, isopropyl, n-butyl or isobutyl, R1-R7 being identical or different, and R8 is a linear or branched C1-C6-alkyl group, preferably methyl, ethyl, n-propyl, isopropyl, n-butyl or isobutyl. The compounds 1 are prepared by reacting a compound 2 wherein R9 is a member selected from the group consisting of —CHO, —CH(OH)—OR8 and —CH(OH)2 with a urea derivative 3 optionally followed by etherification of the reaction product with an alcohol X—OH, wherein X is a linear or branched C1-C4-alkyl group.

  公式1的尿素衍生物可用于硬化含有羟基的聚合物，其中R1-R7中的每一个都是氢原子或线性或支链的C1-C4烷基，优选甲基，乙基，正丙基，异丙基，正丁基或异丁基，R1-R7相同或不同，R8是线性或支链的C1-C6烷基，优选甲基，乙基，正丙基，异丙基，正丁基或异丁基。化合物1通过将R9为—CHO，—CH(OH)—OR8和—CH(OH)2的化合物2与尿素衍生物3反应制备而成，随后可用醇X—OH进行醚化反应，其中X是线性或支链的C1-C4烷基。