N,N-diethyl-4,6-bis[(isopropylideneamino)oxy]-1,3,5-triazin-2-amine | 1604803-68-0

• 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,N-diethyl-4,6-bis[(isopropylideneamino)oxy]-1,3,5-triazin-2-amine
• 英文别名: N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
• CAS: 1604803-68-0
• 化学式: C₁₃H₂₂N₆O₂
• 分子量: 294.357
• InChiKey: YBSZWEYOFKZTJM-UHFFFAOYSA-N

物化性质

• 沸点：
  427.0±28.0 °C(predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  85.1
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  三聚氯氰 、 三乙胺 、 丙酮肟 在 水 作用下， 以 乙腈 为溶剂， 反应 21.0h， 以to afford 2.96 g of the title compound as a white solid, mp. 111-113° C.的产率得到N,N-diethyl-4,6-bis[(isopropylideneamino)oxy]-1,3,5-triazin-2-amine
  参考文献：
  名称：

  IMINOXYTRIAZINES AS RADICAL GENERATORS

  摘要：

  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。

  公开号：

  US20150284604A1

文献信息

• [EN] IMINOXYTRIAZINES AS RADICAL GENERATORS<br/>[FR] IMINOXYTRIAZINES À TITRE DE GÉNÉRATEURS DE RADICAUX
  申请人：BASF SE

  公开号：WO2014064064A1

  公开（公告）日：2014-05-01

  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-C18 alkyl, C3 -C12cycloalkyl, C6-C14 aryl or C2 -C14 heteroaryl, 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-C12alkoxy, 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, OR, 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-C14 heteroaryl; are suitable as radical generating agents.

  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。
• 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。
• US9255217B2
  申请人：——

  公开号：US9255217B2

  公开（公告）日：2016-02-09