2,4,6-tris(1,1-dimethylethoxy)-1,3,5-triazine | 500334-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,4,6-tris(1,1-dimethylethoxy)-1,3,5-triazine
• 英文别名: 2,4,6-tris(tert-butoxy)-1,3,5-triazine；2,4,6-tri(tert-butoxy)-1,3,5-triazine；2,4,6-tris(t-butoxy)-1,3,5-triazine；TriAT-tBu；tri-tert-butoxy-[1,3,5]triazine；Tri-tert-butoxy-[1,3,5]triazin；1,3,5-Triazine, 2,4,6-tris(1,1-dimethylethoxy)-；2,4,6-tris[(2-methylpropan-2-yl)oxy]-1,3,5-triazine
• CAS: 500334-23-6
• 化学式: C₁₅H₂₇N₃O₃
• 分子量: 297.398
• InChiKey: XXKNREBBCLOZIB-UHFFFAOYSA-N

物化性质

• 沸点：
  378.6±25.0 °C(Predicted)
• 密度：
  1.026±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,4,6-tris(1,1-dimethylethoxy)-1,3,5-triazine 在 potassium hydroxide 作用下， 以 异丙醇 为溶剂， 反应 5.0h， 以55%的产率得到4,6-di(tert-butoxy)-1,3,5-triazin-2-ol
  参考文献：
  名称：

  [EN] USE OF A L,3J5-TRIAZIN-2-YL PHOSPHORAMIDATE COMPOUND IN THE SYNTHESIS OF SOFOSBUVIR
  [FR] UTILISATION D'UN COMPOSÉ PHOSPHORAMIDATE DE 1,3,5-TRIAZIN-2-YLE DANS LA SYNTHÈSE DE SOFOSBUVIR

  摘要：

  公开号：

  WO2015158317A8
• 作为产物：
  描述：

  三聚氯氰 、 叔丁醇 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 2.92h， 以81%的产率得到2,4,6-tris(1,1-dimethylethoxy)-1,3,5-triazine
  参考文献：
  名称：

  三嗪基叔丁基化试剂 TriAT-tBu 的开发

  摘要：

  已开发出一种新的叔丁基化试剂 2,4,6-三（叔丁氧基）-1,3,5-三嗪 (TriAT-tBu)，用于醇和羧酸的酸催化叔丁基化。在催化量的酸存在下，各种醇和羧酸与 TriAT-tBu 的反应以良好至高产率提供相应的叔丁基醚和酯。TriAT-tBu 是一种空气稳定的固体，由廉价的起始原料，即氰尿酰氯、tBuOH 和氢化钠以良好的收率合成。

  DOI：

  10.1002/ejoc.201600663

文献信息

• Process for preparation of polyhydric alcohols
  申请人：——

  公开号：US20020157939A1

  公开（公告）日：2002-10-31

  A process for preparing a polyhydric alcohol according to the invention comprises subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in the presence of basic compound(s) or acid(s) having an acid dissociation exponent (pKa) of −8 to 3 at 25° C. to remove the protecting groups of the hydroxy group of the polyhydric alcohol compound. The invention can provide an industrially advantageous process for preparing polyhydric alcohols by readily removing protecting group(s) from protected hydroxy group(s) of polyhydric alcohol compounds.

  根据该发明，制备多羟基醇的方法包括将具有受保护羟基的多羟基醇化合物置于存在具有25°C下酸解离指数（pKa）为-8至3的碱性化合物或酸性化合物的微波辐射中，以去除多羟基醇化合物的羟基的保护基。该发明可以通过轻松去除多羟基醇化合物中受保护羟基的保护基，提供一个工业上有利的制备多羟基醇的方法。
• PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP1298115A1

  公开（公告）日：2003-04-02

  A process for preparing a polyhydric alcohol according to the invention comprises subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in the presence of basic compound(s) or acid(s) having an acid dissociation exponent (pKa) of -8 to 3 at 25°C to remove the protecting groups of the hydroxy group of the polyhydric alcohol compound. The invention can provide an industrially advantageous process for preparing polyhydric alcohols by readily removing protecting group(s) from protected hydroxy group(s) of polyhydric alcohol compounds.

  根据本发明制备多元醇的工艺包括：在碱性化合物或酸解离指数（pKa）为-8 至 3 的酸存在下，在 25°C 的温度下，对具有受保护羟基的多元醇化合物进行微波辐照，以去除多元醇化合物羟基的保护基团。本发明可提供一种具有工业优势的制备多羟基醇的工艺，该工艺可轻松去除多羟基醇化合物受保护羟基上的保护基团。
• Antiviral Activities of Some New 2,4,6-Trisubstituted 1,3,5-Triazines Having Alkoxy and/or Alkylamino Groups
  作者：Kunihiro Sumoto、Nobuko Mibu、Kazumi Yokomizo、Ai Yuzuriha、Marie Otsubo、Yuna Kawaguchi、Marina Sano、Izumi Sakai、Keita Nakayama、Jian-Rong Zhou

  DOI：10.3987/com-17-13735

  日期：——

  We report the preparation of C-3- and C-S-symmetrical 2,4,6-trisubstituted 1,3,5-triazine derivatives having alkoxy and/or alkylamino groups and results of biological evaluation of their anti-herpes simplex virus type 1 (anti-HSV-1) activity and cytotoxic activity against Vero cells. New targeted symmetrical molecules were obtained by using a method starting with 2,4,6-trichloro-1,3,5-triazine (1). Among the synthesized compounds, C-S-symmetrical tri-aliphatic alkylamino-substituted compound 6s showed high anti-HSV-1 activity (EC50 = 5.4 mu M) and low cytotoxicity (CC50 > 200 mu M). The results of an SAR study suggested that the presence of two hydrogen bond donor protons of sec-amine functionality in the molecule is an important structural factor for expression of potential anti-HSV-1 activities.
• Zappi; Cagnoni, Anales des la Asociacion Quimica Argentina, 1948, vol. 36, p. 58,63
  作者：Zappi、Cagnoni

  DOI：——

  日期：——
• HYDROXY GROUP PROTECTING AGENT AND HYDROXY GROUP PROTECTION METHOD
  申请人：National University Corporation Kanazawa University

  公开号：EP2781511B1

  公开（公告）日：2017-12-20