4,4"-bis[(2-hydroxyethyl)-methyl-amino]-1'H-[2,2';6',2"]terpyridin-4'-one | 474490-94-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,4"-bis[(2-hydroxyethyl)-methyl-amino]-1'H-[2,2';6',2"]terpyridin-4'-one
• 英文别名: 2,6-bis[4-[2-hydroxyethyl(methyl)amino]pyridin-2-yl]-1H-pyridin-4-one
• CAS: 474490-94-3
• 化学式: C₂₁H₂₅N₅O₃
• 分子量: 395.461
• InChiKey: KBJMXCKXOIEQRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 4,4"-bis[(2-hydroxyethyl)-methyl-amino]-1'H-[2,2';6',2"]terpyridin-4'-one 以 乙醇 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Novel terpyridine-manganese(II) complexes and their potential to activate hydrogen peroxide

  摘要：

  The ability of manganese(II) complexes with substituted terpyridine (terpy) ligands to activate hydrogen peroxide and to catalyze oxidation of the substrates Morin and Trolox C was studied in aqueous alkaline solution. Introduction of pi-donor substituents as hydroxy or amine groups in the 4-positions of the pyridine rings resulted in an enhanced catalytic activity compared to the unsubstituted terpyridine-manganese(II) complex. However, the catalytic activity depends critically on the substitution pattern. Differences in the activity of catalysts towards Morin and Trolox C are discussed with respect to the mechanism of oxidation. Dissolution of isolated complexes with a ligand-to-manganese ratio of 1: 1 in aqueous buffer results in formation of a mixture of 1:1 and 2:1 species. The 1:1 species was found to be the catalytically more active precursor, suggesting that free coordination sites are important for a high catalytic activity. Activity was found to be pH dependent and was highest at pH similar to10. All complexes also catalyze the disproportionation of hydrogen peroxide into oxygen and water. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(03)00406-0

文献信息

• Use of metal complex compounds as oxidation catalysts
  申请人：——

  公开号：US20040142843A1

  公开（公告）日：2004-07-22

  Use of metal complex compounds of formula (1): [L n Me m X p ] z Y q wherein Me is manganese, titanium, iron, cobalt, nickel or copper, X is a coordinating or bridging radical, n and m are each independently of the other an integer having a value of from 1 to 8, p is an integer having a value of from 0 to 32, z is the charge of the metal complex, y is a counter-ion, q=z/(charge Y), and L is a ligand of formula (2) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 and R 11 are each independently of the others hydrogen; unsubstituted or substituted C 1 -C 18 alkyl or aryl; cyano; halogen; nitro; —COOR 12 or —SO 3 R 12 wherein R 12 is in each case hydrogen, a cation or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —SR 13 , —OR 13 or —OR 13 wherein R 13 is in each case hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —N(R 13 )—NR′ 13 R″ 13 wherein R 13 , R′ 13 and R″ 13 are as defined above for R 13 ; —NR 14 R 15 or —N + R 14 R 15 R 16 wherein R 14 , R 15 and R 16 are each independently of the other(s) hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl, or R 14 and R 15 together with the nitrogen atom bonding them form an unsubstituted or substituted 5 -, 6 - or 7 -membered ring which may optionally contain further hetero atoms; with the proviso that R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , and R 11 are not simultaneously hydrogen, as catalysts for oxidation reactions, and the novel metal complex compounds of formula (1) and the novel ligands of formula (2). 1

  使用公式（1）的金属配合物化合物：[LnMemXp]zYq，其中Me是锰、钛、铁、钴、镍或铜，X是配位或桥联基团，n和m分别独立地为1至8的整数，p为0至32的整数，z是金属配合物的电荷，y是反离子，q=z/（反离子Y的电荷），L是公式（2）的配体，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11各自独立地为氢；未取代或取代的C1-C18烷基或芳基；氰基；卤素；硝基；—COOR12或—SO3R12，其中R12在每种情况下为氢、阳离子或未取代或取代的C1-C18烷基或芳基；—SR13、—OR13或—OR13，其中R13在每种情况下为氢或未取代或取代的C1-C18烷基或芳基；—N（R13）—NR'13R"13，其中R13、R'13和R"13如上所定义为R13；—NR14R15或—N+R14R15R16，其中R14、R15和R16各自独立地为氢或未取代或取代的C1-C18烷基或芳基，或者R14和R15与其结合的氮原子形成未取代或取代的5-、6-或7-成员环，该环可以选择性地包含进一步的杂原子；但是，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10和R11不能同时为氢，作为氧化反应的催化剂，以及公式（1）的新金属配合物化合物和公式（2）的新配体。
• Use of metal complex compounds comprising pyridine pyrimidine or s-triazine derived ligands as catalysts for oxidations with organic peroxy acids and/or precursors of organic peroxy acids and h202
  申请人：Wieprecht Torsten

  公开号：US20090189119A1

  公开（公告）日：2009-07-30

  The invention accordingly relates to the use as catalysts of at least one metal complex of formula (1) [L n Me m X p ] z Y q (1), wherein all substituents have the meanings as defined in the claims for oxidation reactions with organic peroxy acids and/or precursors of organic peroxy acid and H 2 O 2 , as well as to novel detergent compositions.

  该发明涉及使用至少一个化合物的金属配合物作为催化剂，该化合物的化学式为（1）[LnMemXp]zYq(1)，其中所有取代基的含义如权利要求所定义，用于有机过氧酸和/或有机过氧酸前体以及H2O2的氧化反应，以及新型洗涤剂组合物。
• USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS
  申请人：Ciba Specialty Chemicals Holding Inc.

  公开号：EP1383857B1

  公开（公告）日：2006-05-31
• US7161005B2
  申请人：——

  公开号：US7161005B2

  公开（公告）日：2007-01-09
• US7456285B2
  申请人：——

  公开号：US7456285B2

  公开（公告）日：2008-11-25