(carboxymethyl)(1-methylimidazol-(4-(2-methoxyphenyl)-1-piperazine-yl))-propyl-3-amine | 691892-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (carboxymethyl)(1-methylimidazol-(4-(2-methoxyphenyl)-1-piperazine-yl))-propyl-3-amine
• 英文别名: (3-[4-(2-methoxyphenyl)-piperazin-1-yl]-propyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino-acetic acid；2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl-[(1-methylimidazol-2-yl)methyl]amino]acetic acid；2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-[(1-methylimidazol-2-yl)methyl]amino]acetic acid
• CAS: 691892-49-6
• 化学式: C₂₁H₃₁N₅O₃
• 分子量: 401.509
• InChiKey: QGYLXFMIEBRPJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (NEt4)2[rhenium(I)(bromide)3(carbonyl)3] 、 (carboxymethyl)(1-methylimidazol-(4-(2-methoxyphenyl)-1-piperazine-yl))-propyl-3-amine 以 甲醇 为溶剂， 以80%的产率得到[Re(CO)3((3-[4-(2-methoxyphenyl)-1-piperazin-1-yl]-propyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino-acetate)]BrCl
  参考文献：
  名称：

  所述的配合物的FAC - {的Re（CO）3 } +具有三齿配位体芯从芳基哌嗪衍生

  摘要：

  XC 6 H 4 N（CH 2 CH 2）2 NH芳基哌嗪易于烷基化，得到XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n NH 2类型的N-烷基哌嗪。这些衍生物的胺官能团又容易进行单或二烷基化反应，以提供类型为XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n的潜在的三齿配体。N（H）（CH 2 Y）和XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n N（CH 2 Y）（CH 2 Z）。后者的二烷基化衍生物可以被对称（Y ＝ Z）或不对称（Y≠Z）取代。该研究的供体基团Y和Z包括吡啶，咪唑，甲基咪唑，噻唑，羧酸盐和硫醇盐。

  DOI：

  10.1016/j.ica.2003.11.027

文献信息

• Rhenium tricarbonyl core complexes with ligands derived from arylpiperazines. The structures of [Re(CO)3{NC5H4CH2N(H)CH2CH2–Fphenpip}]Br, [Re(CO)3{(NC5H4CH2)2N(CH2)3–CH3OphenpipH}]Br2 and [Re(CO)3{(CH3N2C3H2CH2)(O2CCH2)N(CH2)3–CH3OphenpipH2}]BrCl
  作者：Lihui Wei、Sangeeta Ray Banerjee、Murali K Levadala、John Babich、Jon Zubieta

  DOI：10.1016/s1387-7003(03)00176-x

  日期：2003.8

  The reactions of potentially tridentate ligands, derived from N-arylpiperazines, with [NEt4](2)[Rc(CO)(3)Br-3] have been investigated. The compounds [Re(CO)(3)NC5H4CH2N(H) CH2CH2-Fphenpip}]Br (1Br), [Re(CO)(3)][(NC5H4CH2)(2)NCH2CH2CH2-CH3 OphenpipH}]Br-2.2CH2Cl2.H2O (2Br(2).2CH(2)Cl(2).H2O) and [Re(CO)(3)(CH3N2C3H2CH2)(O2CCH2)N(CH2)(3)-CH(3)OphenpipH(2)}]BrCl . 1.5MeOH . H2O (3BrCl . 1.5MeOH . H2O) have been prepared and structurally characterized. The compounds exhibit fac-[Re(CO)(3)N-3] or fac-[Re(CO)(3)N2O] coordination geometry in the cationic molecular units. Both compounds are chemically robust and survive histidine and cysteine challenges with greater than 95% recovery. Crystal data for C21H23BrFN4O3Re (1Br): monoclinic P2(1)/c, a = 11.344(1) Angstrom, b = 14.433(1) Angstrom, c = 13.730(1) Angstrom, beta = 103.092(2)degrees, V = 2189.5(2) Angstrom(3), Z = 4; C31H41Br2Cl4N5O5Re (2Br(2) . 2CH(2)Cl(2) . H2O): monoclinic P2(1)/c, a = 30.015(1) Angstrom, b = 8.9324(4) Angstrom, c = 14.7361 (6) Angstrom, beta = 103.195.(1)degrees, V = 3846.5(3) Angstrom(3), Z = 4; C25.5H39BrClN5O8.5Re (3BrCl . 1.5MeOH . H2O): triclinic P (1) over bar, a = 11.818(2) Angstrom, b = 13.292(2) Angstrom, c = 14.517(2) Angstrom, alpha = 63.915(2)degrees, beta = 66.373(2)degrees, gamma = 67.416(2)degrees, V = 1815.6(4) Angstrom(3), Z = 2. (C) 2003 Elsevier Science B.V. All rights reserved.
• Complexes of the fac-{Re(CO)3}+ core with tridentate ligands derived from arylpiperazines
  作者：Lihui Wei、Sangeeta Ray Banerjee、Murali K. Levadala、John Babich、Jon Zubieta

  DOI：10.1016/j.ica.2003.11.027

  日期：2004.3

  alkylated to give the N-alkylpiperazines of the type XC6H4N(CH2CH2)2N(CH2)nNH2. The amine functions of these derivatives are in turn easily subjected to mono- or dialkylation to provide potentially tridentate ligands of the types XC6H4N(CH2CH2)2N(CH2)nN(H)(CH2Y) and XC6H4N(CH2CH2)2N(CH2)nN(CH2Y)(CH2Z), respectively. The latter class of dialkylated derivatives may be symmetrically (Y=Z) or unsymmetrically

  XC 6 H 4 N（CH 2 CH 2）2 NH芳基哌嗪易于烷基化，得到XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n NH 2类型的N-烷基哌嗪。这些衍生物的胺官能团又容易进行单或二烷基化反应，以提供类型为XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n的潜在的三齿配体。N（H）（CH 2 Y）和XC 6 H 4 N（CH 2 CH 2）2 N（CH 2）n N（CH 2 Y）（CH 2 Z）。后者的二烷基化衍生物可以被对称（Y ＝ Z）或不对称（Y≠Z）取代。该研究的供体基团Y和Z包括吡啶，咪唑，甲基咪唑，噻唑，羧酸盐和硫醇盐。