2,4,6-tris[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazine | 299929-60-5

• 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[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazine
• 英文别名: 2,4,6-tris(1,1,1,3,3,3-hexafluoro-2-propoxy)-1,3,5-triazine；2,4,6-tris(2,2,2-trifluoro-1-trifluoromethylethoxy)-1,3,5-triazine；2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine；2,4,6-tris(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
• CAS: 299929-60-5
• 化学式: C₁₂H₃F₁₈N₃O₃
• 分子量: 579.145
• InChiKey: QYJXLOJGVNOMNT-UHFFFAOYSA-N

物化性质

• 沸点：
  270.3±50.0 °C(Predicted)
• 密度：
  1.705±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  2,4,6-tris[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazine 、 苯胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 N-(1,1,1,3,3,3-hexafluoropropyl)aniline
  参考文献：
  名称：

  Transition metal-free N-fluoroalkylation of amines using cyanurate activated fluoroalcohols

  摘要：

  使用2,4,6-三氯-1,3,5-三嗪激活的氟烷醇，在温和且无催化剂的条件下，高效地实现了胺的N-氟烷基化。

  DOI：

  10.1039/c7cc07428j
• 作为产物：
  描述：

  三聚氯氰 、 六氟异丙醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.5h， 生成 2,4,6-tris[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazine
  参考文献：
  名称：

  Transition metal-free N-fluoroalkylation of amines using cyanurate activated fluoroalcohols

  摘要：

  使用2,4,6-三氯-1,3,5-三嗪激活的氟烷醇，在温和且无催化剂的条件下，高效地实现了胺的N-氟烷基化。

  DOI：

  10.1039/c7cc07428j
• 作为试剂：
  描述：

  环十二烷酮肟 在 六氟异丙醇 、 2,4,6-tris[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazine 作用下， 反应 2.0h， 以99%的产率得到氮杂环十三烷-2-酮
  参考文献：
  名称：

  PROCESS FOR PRODUCTION OF AMIDES OR LACTAMS

  摘要：

  通过在含有以下式（1）所代表的结构的环组分和氟化醇的存在下对相应的肟化合物进行重排，可以产生酰胺或内酰胺：其中Z代表卤素原子或-OR基团，其中R代表有机基团。Z最好是氯原子。示例氟化醇包括以下式（3）所代表的含氟支链脂肪醇：其中Rf1和Rf2可以相同也可以不同，每个代表具有一至八个碳原子的全氟烷基基团；“n”表示0至8的整数。根据这个过程，可以简单地高产率地生产酰胺或内酰胺，而不产生大量副产物。

  公开号：

  EP2006283A9

文献信息

• METHOD FOR PRODUCING LACTAM COMPOUND
  申请人：Shibamoto Akihiro

  公开号：US20100029931A1

  公开（公告）日：2010-02-04

  Disclosed is a method for industrially efficiently producing a lactam compound having 8 to 15 carbon atoms at low cost by allowing a rearrangement reaction of a cyclic oxime compound to proceed without causing large amounts of by-products such as ammonium sulfate. [Solving Means] Disclosed is a method for producing a lactam compound, which includes the step of rearranging a cyclic oxime compound in a nonpolar solvent B in the presence of an aromatic compound A to give the lactam compound, in which the aromatic compound A has a leaving group bonded to a carbon atom constituting its aromatic ring and contains, as an atom constituting the aromatic ring, a heteroatom, or a carbon atom bonded with an electron-withdrawing group, the cyclic oxime compound is represented by following Formula (1): wherein “m” denotes an integer of 7 to 14, and the lactam compound is represented by following Formula (2): wherein “m” is as defined above.

  揭示了一种工业高效地以低成本生产具有8至15个碳原子的内酰胺化合物的方法，通过使环氧肟化合物的重排反应在不产生大量副产物如硫酸铵的情况下进行。 【解决手段】揭示了一种生产内酰胺化合物的方法，包括在非极性溶剂B中在芳香化合物A存在下重排环氧肟化合物的步骤，以得到内酰胺化合物，其中芳香化合物A具有与构成其芳香环的碳原子结合的离去基团，并且包含作为构成芳香环的原子，一个杂原子，或者与带有电子吸引基团的碳原子结合，环氧肟化合物由以下式（1）表示：其中“m”表示一个整数，范围为7至14，内酰胺化合物由以下式（2）表示：其中“m”如上所定义。
• PROCESS FOR PRODUCING AMIDE OR LACTAM
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP2301918A1

  公开（公告）日：2011-03-30

  A process produces an amide or lactam by subjecting an oxime compound to rearrangement in a solvent in the presence of: at least one catalyst selected from the group consisting of an aromatic compound (A1) containing a leaving group bound to a carbon atom constituting the aromatic ring, the aromatic ring including, as a constitutive atom thereof, a heteroatom or including, as a constitutive atom thereof, a carbon atom bound to an electron-withdrawing group, and a compound (A2) containing a structure of Formula (1): -G-LA (1) wherein G represents P, N, S, B or Si atom; and LA represents a leaving group, wherein G is bound to one or more atoms or groups in addition to LA; and a co-catalyst including a halogen-containing organic acid, to give the corresponding amide or lactam, wherein, when the aromatic compound (A1) alone is used as the catalyst, the solvent is at least one solvent selected typically from hydrocarbon solvents. The production process can yield amides or lactams simply in high yields without causing large amounts of by-products such as ammonium sulfate.

  一种生产酰胺或内酰胺的工艺，其方法是使肟化合物在以下物质存在下在溶剂中进行重排：至少一种催化剂，该催化剂选自由以下组成的组芳香化合物(A1)，该芳香化合物含有与构成芳香环的碳原子结合的离去基团，芳香环包括作为其构成原子的杂原子或包括作为其构成原子的与抽电子基团结合的碳原子，以及含有式(1)结构的化合物(A2)：-G-LA(1)，其中 G 代表 P、N、S、B 或 Si 原子；LA 代表离去基团，其中 G 除 LA 外还与一个或多个原子或基团结合；以及助催化剂，包括含卤素的有机酸，以得到相应的酰胺或内酰胺，其中，当单独使用芳香族化合物（A1）作为催化剂时，溶剂为通常选自烃溶剂的至少一种溶剂。该生产工艺可简单高产地得到酰胺或内酰胺，而不会产生大量副产物，如硫酸铵。
• 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.
• Process for Production of Amides or Lactams
  申请人：Ishii Yasutaka

  公开号：US20090093628A1

  公开（公告）日：2009-04-09

  An amide or lactam is produced by conducting a rearrangement of a corresponding oxime compound in the presence of a cyclic compound containing a structure represented by following Formula (1) as a ring constituent and a fluorinated alcohol: wherein Z represents a halogen atom or an —OR group, where R represents an organic group. Z is preferably chlorine atom. Exemplary fluorinated alcohols include fluorine-containing branched-chain aliphatic alcohols represented by following Formula (3): wherein Rf 1 and Rf 2 may be the same as or different from each other and each represent a perfluoroalkyl group having one to eight carbon atoms; and “n” denotes an integer of 0 to 8. According to this process, amides or lactams can be simply produced in high yields without causing large amounts of by-products.
• US8680267B2
  申请人：——

  公开号：US8680267B2

  公开（公告）日：2014-03-25