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4,4''-bis(4-methyl-piperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-one | 648431-12-3

中文名称
——
中文别名
——
英文名称
4,4''-bis(4-methyl-piperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-one
英文别名
4,4''-bis(4-methylpiperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-one;2,6-bis[4-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyridin-4-one
4,4''-bis(4-methyl-piperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-one化学式
CAS
648431-12-3
化学式
C25H31N7O
mdl
——
分子量
445.567
InChiKey
FKOZFYFYRABEQG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    33
  • 可旋转键数:
    4
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    67.8
  • 氢给体数:
    1
  • 氢受体数:
    8

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    碘甲烷4,4''-bis(4-methyl-piperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-one 在 C33H49I2N7O 、 乙腈 作用下, 以 乙腈 为溶剂, 反应 16.0h, 生成 4,4''-bis-(4-butyl-piperazin-1-yl)-1'H-[2,2';6',2'']terpyridin-4'-on
    参考文献:
    名称:
    Use of metal complex compounds as oxidation catalysts
    摘要:
    本发明涉及使用具有三吡啶配体并含有至少一个季铵氮原子的金属配合物化合物作为氧化催化剂。本发明还涉及包含这种金属配合物化合物的配方、新型金属配合物和新型配体。
    公开号:
    US07494964B2
  • 作为产物:
    参考文献:
    名称:
    Use of metal complex compounds as catalysts for oxidation using molecular oxygen or air
    摘要:
    使用至少一种式(1)的金属配合物化合物作为氧化反应的催化剂,其中Me为锰、钛、铁、钴、镍或铜,X为配位或桥接基团,n和m各自独立地为1至8的整数,p为0至32的整数,z为金属配合物的电荷,Y为计数离子,q=z/(Y的电荷),L为式(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在每种情况下均为氢、阳离子或未取代或取代的C1-C18烷基或芳基;—SR13、—SO2R13或—OR13,其中R13在每种情况下均为氢或未取代或取代的C1-C18烷基或芳基;—NR14R15;—(C1-C6烷基)-NR14R15;—N(+)R14R15R16;—(C1-C6烷基)-N(+)R14R15R16;—N(R13)—(C1-C6烷基)-NR14R15;—N[(C1-C6烷基)-NR14R15]2;—N(R13)—(C1-C6烷基)-N(+)R14R15R16;—N[(C1-C6烷基)-N(+)R14R15R16]2;—N(R13)—N—R14R15或—N(R13)N″R14R15R16,其中R13如上所述,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R14和R15与连接它们的氮原子一起形成未取代或取代的5、6或7元环,该环可能含有进一步的杂原子。[LnMemXp]zYq(1)
    公开号:
    US20060019853A1
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文献信息

  • USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS
    申请人:GERET Laurence
    公开号:US20060247144A1
    公开(公告)日:2006-11-02
    An automatic dishwasher detergent formulation comprising:—a) a metal complex compound of formula (1) [L n Me m X p ] z Y q (1), 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 , —SO 2 R 13 or —OR 13 wherein R 13 is in each case hydrogen or unsubstituted or substituted C 1 -C 18 alkyl or aryl; —NR 14 R 15 ; —(C 1 -C 6 alkylene)-NR 14 R 15 ; —N ⊕ R 14 R 15 R 16 ; —(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 ; —N(R 13 )—(C 1 -C 6 alkylene)-NR 14 R 15 ; —N[(C 1 -C 6 alkylene)-NR 14 R 15 ] 2 ; —N(R 13 )—(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 , —N[(C 1 -C 6 alkylene)-N ⊕ R 14 R 15 R 16 ] 2 ; —N(R 13 )—N—R 14 R 15 or —N(R 13 )—N ⊕ R 14 R 15 R 16 , wherein R 13 is as defined above and 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 heteroatoms; with the proviso that (i) at least one of the substituents R 1 —R 11 contains a quaternized nitrogen atom which is not directly bonded to one of the three pyridine rings A, B or C and that (ii) Y is neither I − nor Cl − in the case that Me is Mn(II), R 1 —R 5 and R 7 —R 11 are hydrogen and R 6 is as catalysts for oxidation reactions; and b) a sulphonated polymer
    一种自动洗碗机洗涤剂配方,包括:- 公式(1)中的金属配合物化合物[LnMemXp]zYq(1),其中Me为锰、钛、铁、钴、镍或铜,X为配位或桥接基团,n和m分别独立地为1至8的整数,p为0至32的整数,z为金属配合物的电荷,Y为反离子,q = z /(Y电荷),L为公式(2)中的配体其中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在每种情况下均为氢,阳离子或未取代或取代的C1-C18烷基或芳基; -SR13,-SO2R13或-OR13,其中R13在每种情况下均为氢或未取代或取代的C1-C18烷基或芳基; -NR14R15; -(C1-C6烷基)-NR14R15; -N⊕R14R15R16; -(C1-C6烷基)-N⊕R14R15R16; -N(R13) -(C1-C6烷基)-NR14R15; -N [(C1-C6烷基)-NR14R15]2; -N(R13) -(C1-C6烷基)-N⊕R14R15R16,-N [(C1-C6烷基)-N⊕R14R15R16]2; -N(R13) -N-R14R15或-N(R13) -N⊕R14R15R16,其中R13如上定义,而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R14和R15与它们连接的氮原子形成未取代或取代的5、6或7元环,该环可以选择包含进一步的杂原子; 前提是(i)至少一个取代基R1-R11包含一个季铵氮原子,该氮原子未直接与三个吡啶环A、B或C之一结合,且(ii)在Me为Mn(II),R1-R5和R7-R11为氢,R6为氧化反应的催化剂的情况下,Y既不是I-也不是Cl-; 和b)磺化聚合物。
  • 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 CATALYSTS FOR OXIDATION USING MOLECULAR OXYGEN OR AIR
    申请人:Ciba Specialty Chemicals Holding Inc.
    公开号:EP1556468A1
    公开(公告)日:2005-07-27
  • USE OF A COMPOSITION COMPRISING METAL COMPLEX COMPOUNDS AND POLYPHOSPHONATES AS CATALYSTS FOR OXIDATIONS
    申请人:Ciba Specialty Chemicals Holding Inc.
    公开号:EP1703977A1
    公开(公告)日:2006-09-27
  • 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 H2O2
    申请人:Ciba Specialty Chemicals Holding Inc.
    公开号:EP1703976A2
    公开(公告)日:2006-09-27
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