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Pentachlorophenyl picolinate

中文名称
——
中文别名
——
英文名称
Pentachlorophenyl picolinate
英文别名
(2,3,4,5,6-Pentachlorophenyl) pyridine-2-carboxylate
Pentachlorophenyl picolinate化学式
CAS
——
化学式
C12H4Cl5NO2
mdl
——
分子量
371.434
InChiKey
JOBOMPNGQJIRSZ-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):
    5.1
  • 重原子数:
    20
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    39.2
  • 氢给体数:
    0
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    Pentachlorophenyl picolinate 作用下, 生成 2-吡啶甲酸五氯酚
    参考文献:
    名称:
    Leaving group effect in the cleavage of picolinate esters catalyzed by hydroxy-functionalized metallomicelles
    摘要:
    Micellar aggregates of complexes of transition metal ions with the hydroxy-functionalized surfactant 1a are very effective catalysts of the cleavage of activated esters of alpha-amino acids. To ascertain their effectiveness toward unactivated esters, a systematic kinetic study was undertaken employing as substrates the picolinic acid esters 3a-1, the pK(a) of their alcoholic portion spanning more than 12 units from 3.6 to 16. The leaving group effect was investigated in water, pH=6.3, in the absence and presence of CU2+ ions, in the presence of the nonmicellar complex 2-CU2+, and in the presence of micellar aggregates made of 1a-Cu2+ or of its O-methylated analog 1b-Cu2+. In the presence of free metal ions the leaving group effect is negligible in the case of esters with good leaving groups (pK(a)
    DOI:
    10.1021/jo00080a006
  • 作为产物:
    描述:
    2-吡啶甲酸五氯酚4-二甲氨基吡啶N,N'-二环己基碳二亚胺 作用下, 以 二氯甲烷 为溶剂, 反应 48.0h, 以45%的产率得到Pentachlorophenyl picolinate
    参考文献:
    名称:
    Leaving group effect in the cleavage of picolinate esters catalyzed by hydroxy-functionalized metallomicelles
    摘要:
    Micellar aggregates of complexes of transition metal ions with the hydroxy-functionalized surfactant 1a are very effective catalysts of the cleavage of activated esters of alpha-amino acids. To ascertain their effectiveness toward unactivated esters, a systematic kinetic study was undertaken employing as substrates the picolinic acid esters 3a-1, the pK(a) of their alcoholic portion spanning more than 12 units from 3.6 to 16. The leaving group effect was investigated in water, pH=6.3, in the absence and presence of CU2+ ions, in the presence of the nonmicellar complex 2-CU2+, and in the presence of micellar aggregates made of 1a-Cu2+ or of its O-methylated analog 1b-Cu2+. In the presence of free metal ions the leaving group effect is negligible in the case of esters with good leaving groups (pK(a)
    DOI:
    10.1021/jo00080a006
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