potassium (R)-2-chloropropionate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: potassium (R)-2-chloropropionate
• 英文别名: potassium (S)-2-chloropropionate；potassium;(2S)-2-chloropropanoate
• 化学式: C₃H₄ClO₂*K
• 分子量: 146.615
• InChiKey: AFEOSTAENQJQJQ-DKWTVANSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.63
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [Pd2(μ-SC8H17)(μ-Cl)(NO2C6H3CH=NC6H4OC8H17)2] 、 potassium (R)-2-chloropropionate 以 二氯甲烷 、 丙酮 为溶剂， 生成 [Pd2(μ-SC8H17)(μ-(R)-OOCCH(Cl)CH3)(NO2C6H3CH=NC6H4OC8H17)2]
  参考文献：
  名称：

  Synthesis and Second-Order Nonlinear Optical Properties of New Palladium(II) and Platinum(II) Schiff-Base Complexes

  摘要：

  The second harmonic generations of the dimeric complexes [M-2(mu-X)(mu-SCnH2n+1)(RC6H3CH=NC6H4R')] (M = Pd, Pt; X = Cl, CH3COO, (R)-CH3CHClCOO; R, R' = NO2 and OC8H17 or N(C4H9)(2); n = 4 or 8) and the monomeric complexes [Pd(RC6H3CH=NC6H4R')L] (L = C5H5 (Cp), CH3COCHCOCH3 (acac)) and [Pd(RC6H3CH=NC6H4R')(CNC6H4R")Cl] (R" = NO2, OCnH2n+1, N(CmH2m+1)(2); n = 4 or 8; m = 1 or 4) have been measured, and the influence of the position of donor and acceptor groups is discussed and compared with that of the free imine ligands. The value of the hyperpolarizability (beta) is raised only when a strong donor group is located in the cyclometalated ring. Moreover, the beta value has been enhanced, too, in the cyclopentadienyl monomer complex by as much as 80% with respect to the beta value of the corresponding free imine. The molecular structure of [Pd-3(mu-Cl)(mu-SC4H9)(N(C4H9)(2)C6H3CH=NC6H4NO2] has been determined by an X-ray diffraction analysis.

  DOI：

  10.1021/om9708900

文献信息

• Synthesis and Second-Order Nonlinear Optical Properties of New Palladium(II) and Platinum(II) Schiff-Base Complexes
  作者：Julio Buey、Silverio Coco、Laura Díez、Pablo Espinet、José M. Martín-Alvarez、Jesús A. Miguel、Santiago García-Granda、Ana Tesouro、Isabelle Ledoux、Joseph Zyss

  DOI：10.1021/om9708900

  日期：1998.4.1

  The second harmonic generations of the dimeric complexes [M-2(mu-X)(mu-SCnH2n+1)(RC6H3CH=NC6H4R')] (M = Pd, Pt; X = Cl, CH3COO, (R)-CH3CHClCOO; R, R' = NO2 and OC8H17 or N(C4H9)(2); n = 4 or 8) and the monomeric complexes [Pd(RC6H3CH=NC6H4R')L] (L = C5H5 (Cp), CH3COCHCOCH3 (acac)) and [Pd(RC6H3CH=NC6H4R')(CNC6H4R")Cl] (R" = NO2, OCnH2n+1, N(CmH2m+1)(2); n = 4 or 8; m = 1 or 4) have been measured, and the influence of the position of donor and acceptor groups is discussed and compared with that of the free imine ligands. The value of the hyperpolarizability (beta) is raised only when a strong donor group is located in the cyclometalated ring. Moreover, the beta value has been enhanced, too, in the cyclopentadienyl monomer complex by as much as 80% with respect to the beta value of the corresponding free imine. The molecular structure of [Pd-3(mu-Cl)(mu-SC4H9)(N(C4H9)(2)C6H3CH=NC6H4NO2] has been determined by an X-ray diffraction analysis.