N-[[4,6-bis[(cyclododecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclododecanimine | 1036363-04-8

• 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: N-[[4,6-bis[(cyclododecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclododecanimine
• 英文别名: O-4,6-bis(cyclododecylideneaminooxy)-1,3,5-triazin-2-ylcyclododecanoneoxime；2,4,6-tris(cyclododecylidene-aminooxy)-1,3,5-triazine
• CAS: 1036363-04-8
• 化学式: C₃₉H₆₆N₆O₃
• 分子量: 666.991
• InChiKey: VZZLJYVTLHXNHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  三聚氯氰 、 环十二烷酮肟 在 吡啶 作用下， 反应 20.0h， 以2.36 g的产率得到N-[[4,6-bis[(cyclododecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclododecanimine
  参考文献：
  名称：

  [EN] IMINOXYTRIAZINES AS RADICAL GENERATORS
  [FR] IMINOXYTRIAZINES À TITRE DE GÉNÉRATEURS DE RADICAUX

  摘要：

  Iminoxytriazine化合物的结构式（I），其中n为1或2；R1和R2彼此独立地为氢、NH2、NHR5、NR5R6、COR5、COOR5、CONH2、CONHR5、CONR5R6、CN、SR5、OR5、C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基，其中所述的C3-C12环烷基、C6-C14芳基或C2-C14杂芳基未取代或通过来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团取代，或者R1和R2与它们连接的C原子一起形成未取代或通过来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团取代的4到12元碳环或杂环饱和或不饱和环，R3为F、Cl、OH、OR、SH、SR5、NH2、NHR5、NR5R6或R1R2C=N-O-；其中在结构式I的化合物中所有R1R2C=N-O-中的R1和R2相同或不同；如果n为1，R4为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C=N-O-；其中在结构式I的化合物中所有R1R2C=N-O-中的R1和R2相同或不同；如果n为2，R4为源自二醇、双胺、氨基醇或巯基醇的双官能团；R5和R6彼此独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基；适用作基团生成剂。

  公开号：

  WO2014064064A1
• 作为试剂：
  描述：

  环十二烷酮肟 在 六氟异丙醇 、 N-[[4,6-bis[(cyclododecylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]cyclododecanimine 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。
• Iminoxytriazines as radical generators
  申请人：BASF SE

  公开号：US09255217B2

  公开（公告）日：2016-02-09

  Iminoxytriazine compounds of the formula I wherein n is 1 or 2; R1 and R2 independently of each other are hydrogen, NH2, NHR5, NR5R6, COR5, COOR5, CONH2, CONHR5, CONR5R6, CN, SR5, OR5, C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl or C2-C14heteroaryl, wherein said C3-C12cycloalkyl, C6-C14aryl or C2-C14heteroaryl is unsubstituted or substituted by one or more radicals selected from the group consisting of C1-C12alkyl, C3-C12-cycloalkyl, phenyl, halogen and C1-C12 alkoxy, or R1 and R2 together with the C atom to which they are linked form a 4 to 12 membered carbocyclic or heterocyclic saturated or unsaturated ring which is unsubstituted or substituted by one or more radicals selected from the group consisting of C1-C12alkyl, C3-C12-cycloalkyl, phenyl, halogen and C1-C12 alkoxy; R3 is F, Cl, OH, OR5, SH, SR5, NH2, NHR5, NR5R6 or R1R2C═N—O—; wherein R1 and R2 in all groups R1R2C═N—O— in the compound of the formula I are identical or different; if n is 1, R4 is F, Cl, OH, OR5, SH, SR5, NH2, NHR5, NR5R6 or R1R2C═N—O—; wherein R1 and R2 in all groups R1R2C═N—O— in the compound of the formula I are identical or different; if n is 2, R4 is a difunctional group derived from a diol, diamine, aminoalcohol or mercaptoalcohol; R5 and R6 independently of each other are C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl or C2-C14heteroaryl; are suitable as radical generating agents.

  化合物I的亚氨基三嗪化合物，其中n为1或2；R1和R2独立地为氢、NH2、NHR5、NR5R6、COR5、COOR5、CONH2、CONHR5、CONR5R6、CN、SR5、OR5、C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基，其中所述的C3-C12环烷基、C6-C14芳基或C2-C14杂芳基未被取代或被一个或多个从C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基中选择的基团所取代；或者R1和R2与它们连接的碳原子一起形成一个4到12成员的碳环或杂环，该碳环或杂环未被取代或被一个或多个从C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基中选择的基团所取代；R3为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在化合物I的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为1，则R4为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在化合物I的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为2，则R4为从二元醇、二胺、氨基醇或巯基醇衍生的二功能基团；R5和R6独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基；适用于生成自由基的剂。
• IMINOXYTRIAZINES AS RADICAL GENERATORS
  申请人：BASF SE

  公开号：US20150284604A1

  公开（公告）日：2015-10-08

  Iminoxytriazine compounds of the formula I wherein n is 1 or 2; R 1 and R 2 independently of each other are hydrogen, NH 2 , NHR 5 , NR 5 R 6 , COR 5 , COOR 5 , CONH 2 , CONHR 5 , CONR 5 R 6 , CN, SR 5 , OR 5 , C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl, wherein said C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl is unsubstituted or substituted by one or more radicals selected from the group consisting of C 1 -C 12 alkyl, C 3 -C 12 -cycloalkyl, phenyl, halogen and C 1 -C 12 alkoxy, or R 1 and R 2 together with the C atom to which they are linked form a 4 to 12 membered carbocyclic or heterocyclic saturated or unsaturated ring which is unsubstituted or substituted by one or more radicals selected from the group consisting of C 1 -C 12 alkyl, C 3 -C 12 -cycloalkyl, phenyl, halogen and C 1 -C 12 alkoxy; R 3 is F, Cl, OH, OR 5 , SH, SR 5 , NH 2 , NHR 5 , NR 5 R 6 or R 1 R 2 C═N—O—; wherein R 1 and R 2 in all groups R 1 R 2 C═N—O— in the compound of the formula I are identical or different; if n is 1, R 4 is F, Cl, OH, OR 5 , SH, SR 5 , NH 2 , NHR 5 , NR 5 R 6 or R 1 R 2 C═N—O—; wherein R 1 and R 2 in all groups R 1 R 2 C═N—O— in the compound of the formula I are identical or different; if n is 2, R 4 is a difunctional group derived from a diol, diamine, aminoalcohol or mercaptoalcohol; R 5 and R 6 independently of each other are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl or C 2 -C 14 heteroaryl; are suitable as radical generating agents.

  公式I中的亚硝基三嗪化合物，其中n为1或2；R1和R2独立地为氢、NH2、NHR5、NR5R6、COR5、COOR5、CONH2、CONHR5、CONR5R6、CN、SR5、OR5、C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基，其中所述的C3-C12环烷基、C6-C14芳基或C2-C14杂芳基未取代或取代为来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团；或者R1和R2与它们连接的C原子一起形成一个4到12个成员的碳环或杂环，该碳环或杂环未取代或取代为来自C1-C12烷基、C3-C12环烷基、苯基、卤素和C1-C12烷氧基的一个或多个基团；R3为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在公式I中的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为1，则R4为F、Cl、OH、OR5、SH、SR5、NH2、NHR5、NR5R6或R1R2C═N—O—；其中在公式I中的所有R1R2C═N—O—基团中，R1和R2相同或不同；如果n为2，则R4为来自二元醇、二胺、氨基醇或巯基醇的二官能团；R5和R6独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基或C2-C14杂芳基；适用于产生基团的生成剂。
• 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。
• PRODUCTION METHOD AND BECKMANN REARRANGEMENT CATALYST FOR PRODUCING A CYCLIC LACTAM COMPOUND
  申请人：National University Corporation Nagoya University

  公开号：EP2241552B1

  公开（公告）日：2018-11-14