1,3,5-triazin-2,4,6[1H,3H,5H]-trion-1N,3N,5N-tri-O-yl acetate | 558480-54-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,3,5-triazin-2,4,6[1H,3H,5H]-trion-1N,3N,5N-tri-O-yl acetate
• 英文别名: 1,3,5-triacetoxy-hexahydro-1,3,5-triazine-2,4,6-trione；N,N',N"-triacetoxyisocyanuric acid；(3,5-diacetyloxy-2,4,6-trioxo-1,3,5-triazinan-1-yl) acetate
• CAS: 558480-54-9
• 化学式: C₉H₉N₃O₉
• 分子量: 303.185
• InChiKey: ROEDYTPFOWLBBH-UHFFFAOYSA-N

物化性质

• 沸点：
  365.7±25.0 °C(Predicted)
• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  140
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  乙酸酐 、 1,3,5-三羟基-1,3,5-三嗪-2,4,6(1H,3H,5H)-三酮 在 硫酸 作用下， 反应 10.0h， 以75.1%的产率得到1,3,5-triazin-2,4,6[1H,3H,5H]-trion-1N,3N,5N-tri-O-yl acetate
  参考文献：
  名称：

  A study of the physico-chemical properties of 1,3,5-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione

  摘要：

  Acetyl (Ia) and pivaloyl (Ib) triesters of the 1N,3N,5N-trihydroxy-1,35-triazin-2,4,6[1H,3H,5H]-trione (I) were synthesised. The spectrophotometric and potentiometric investigation of I revealed a weak acidic properties of triprotonic acid (pK(a1) =5.23, pK(a2)=6.32, and pK(a3) = 7.93). The MS and TGA analyses of I indicated on hydroxyisocyanate as possible degradation product. The chelating ability of I with Fe(III)-ion was preliminary explored. IR measurements of aqueous solutions of I in the presence of Fe(111) ion showed the possible chelating ability of all hydroxamic moieties. The chemical structures and properties of investigated compounds were derived from the results of IR, 1H and C-13 NMR, UV and MS spectrometric data, as well as thermogravimetric and potentiometric analysis. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.09.018
• 作为试剂：
  描述：

  对二甲苯 在 1,3,5-triazin-2,4,6[1H,3H,5H]-trion-1N,3N,5N-tri-O-yl acetate 、 cobalt(II) acetate 、 manganese(II) acetate 、 N-羟基-1,8-萘二甲酰亚胺 氧气 作用下， 以 水 、 溶剂黄146 为溶剂， 170.0 ℃ 、2.0 MPa 条件下， 反应 1.0h， 以88%的产率得到对苯二甲酸
  参考文献：
  名称：

  EP1734029

  摘要：

  公开号：

文献信息

• Process for the preparation of substituted phenols
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1967505A1

  公开（公告）日：2008-09-10

  A substituted phenolic compound is prepared by oxidizing a substituted diarylethane compound with oxygen in the presence of a nitrogen-containing cyclic compound, and treating the oxidized product with an acid. The nitrogen-containing cyclic compound includes, as a constituent of its ring, a skeleton represented by following Formula (I): wherein X is oxygen atom or an -OR group, where R is hydrogen atom or a hydroxyl-protecting group. The substituted diarylethane compound is represented by following Formula (1): wherein each of Ring Ar1 and Ring Ar2 is independently a monocyclic or polycyclic aromatic carbocyclic ring; Y1 is an electron-donating group; Y2 is an electron-withdrawing group; "p" is an integer of 1 or more; and "q" is an integer of 0 or more. The substituted phenolic compound is represented by following Formula (2): wherein Ring Ar1, Y1, and "p" are as defined above.

  一种取代酚化合物是通过在含氮环化合物存在下氧化取代二芳乙烷化合物制备的，并且用酸处理氧化产物。含氮环化合物包括其环中的一个组分是由以下式（I）表示的骨架：其中X是氧原子或-OR基团，其中R是氢原子或羟基保护基团。取代二芳乙烷化合物由以下式（1）表示：其中Ar1环和Ar2环中的每一个独立地是单环或多环芳香碳环；Y1是电子给予基团；Y2是电子吸引基团；“p”是1或更多的整数；“q”是0或更多的整数。取代酚化合物由以下式（2）表示：其中Ar1环，Y1和“p”如上定义。
• Process for producing azine compounds and oxime compounds
  申请人：——

  公开号：US20030204084A1

  公开（公告）日：2003-10-30

  A process comprising allowing a peroxide compound represented by following Formula (2): 1 wherein R a , R b , R c and R d are the same or different and are each a hydrogen atom or a hydrocarbon group, and wherein R a and R b , R c and R d may be combined to form a ring together with the adjacent carbon atom, respectively, to react with ammonia and water to yield an azine compound represented by following Formula (3): 2 wherein R a , R b , R c and R d have the same meanings as defined above, or oxime compounds represented by following Formulae (4 a ) and/or (4 b ): 3 wherein R a , R b , R c and R d have the same meanings as defined above, in the presence of a nitrogen-containing cyclic compound constitutively having a skeleton represented by following Formula (A) in its ring: 4 wherein X is one of an oxygen atom and an —OR group, and wherein R is one of a hydrogen atom and a hydroxyl-protecting group. This process can produce an oxime compound or an azine compound useful as a material for oxime compounds from low-cost materials by easy and simple procedures.

  一种过程包括允许由以下式（2）表示的过氧化物化合物：其中Ra、Rb、Rc和Rd相同或不同，每个都是氢原子或烃基，且Ra和Rb、Rc和Rd可以分别与相邻的碳原子结合形成环，以与氨和水反应生成由以下式（3）表示的偶氮化合物：其中Ra、Rb、Rc和Rd的含义与上述定义相同，或者在具有以下式（A）中的环中具有骨架的含氮环化合物的存在下生成由以下式（4a）和/或（4b）表示的肟化合物：其中Ra、Rb、Rc和Rd的含义与上述定义相同，在X为氧原子和-OR基团之一，R为氢原子和羟基保护基团之一的情况下。该过程可以通过简单易行的步骤从低成本材料中产生用作肟化合物材料的肟化合物或偶氮化合物。
• Process for producing organic compounds using nitrites
  申请人：——

  公开号：US20030171618A1

  公开（公告）日：2003-09-11

  A process produces an organic compound by allowing (A) a compound capable of generating a free radical to react with (B) at least one of esters and salts of nitrous acid in the presence of a nitrogen-containing cyclic compound constitutively having a skeleton represented by following Formula (i) in its ring: 1 wherein X is an oxygen atom or an —OR group, and wherein R is a hydrogen atom or a hydroxyl-protecting group. Examples of the nitrogen-containing cyclic compound are cyclic imide compounds having a cyclic imide skeleton represented by following Formula (I): 2 wherein n is 0 or 1; X is an oxygen atom or an —OR group, and wherein R is a hydrogen atom or a hydroxyl-protecting group.

  该过程通过允许（A）具有产生自由基的化合物与（B）硝酸酯和盐中至少一种在氮含环腺嘌呤化合物的存在下反应来产生有机化合物，该氮含环腺嘌呤化合物在其环中具有以下式（i）所表示的骨架：1其中X为氧原子或-OR基团，R为氢原子或羟基保护基团。氮含环腺嘌呤化合物的示例是具有以下式（I）所表示的环状咪唑酰衍生物骨架的环状咪唑化合物：2其中n为0或1；X为氧原子或-OR基团，R为氢原子或羟基保护基团。
• Catalyst comprising cyclic acylurea compounds and processes for production organic compounds with the same
  申请人：Ishii Yasutaka

  公开号：US20050020439A1

  公开（公告）日：2005-01-27

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  该发明的催化剂包括具有下式表示的环状酰脲骨架的环状酰脲化合物（I）：其中R是氢原子或羟基保护基；n为1或2；G是碳原子或氮原子，当n为2时，两个G可以相同或不同。该催化剂可以包括环状酰脲化合物和金属化合物的组合物。在催化剂的存在下，（A）能够形成自由基的化合物与（B）自由基清除化合物反应，从而产生化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和条件下通过加成或取代反应产生高选择性和高产率的有机化合物。
• Catalyst comprising cyclic acylurea compound and process for producing organic compounds using the catalyst
  申请人：Ishii Yasutaka

  公开号：US20060030716A1

  公开（公告）日：2006-02-09

  A catalyst of the invention includes a cyclic acylurea compound having a cyclic acylurea skeleton represented by following Formula (I): wherein R is a hydrogen atom or a hydroxyl-protecting group; n is 1 or 2; G is a carbon atom or a nitrogen atom, where two Gs are the same or different when n is 2. The catalyst may include the cyclic acylurea compound and a metallic compound in combination. In the presence of the catalyst, (A) a compound capable of forming a radical is allowed to react with (B) a radical scavenging compound and thereby yields an addition or substitution reaction product of the compound (A) and the compound (B) or a derivative thereof. This catalyst can produce an organic compound with a high selectivity in a high yield as a result of, for example, an addition or substitution reaction under mild conditions.

  本发明的催化剂包括具有以下式（I）所表示的环状酰基脲骨架的环状酰基脲化合物，其中R是氢原子或羟基保护基；n为1或2；G为碳原子或氮原子，当n为2时，两个G可以相同或不同。该催化剂可以包括环状酰基脲化合物和金属化合物的组合。在催化剂的存在下，将（A）能够形成自由基的化合物与（B）自由基清除化合物反应，从而产生化合物（A）和化合物（B）或其衍生物的加成或取代反应产物。该催化剂可以在温和的条件下通过加成或取代反应产生高选择性的有机化合物，从而获得高收率。