[2-(1-aminoethyl)phenyl-κ2C1,N]chloro(3,5-lutidine-κN)palladium(II) | 194943-90-3

• 英文名称: [2-(1-aminoethyl)phenyl-κ2C1,N]chloro(3,5-lutidine-κN)palladium(II)
• 英文别名: (S)-[2-(1-aminoethyl)phenyl-κ2C1,N]chloro(3,5-lutidine-κN)palladium(II)
• CAS: 194943-90-3；194852-63-6
• 化学式: C₁₅H₁₉ClN₂Pd
• 分子量: 369.202
• InChiKey: UCULAIOYCPHMKH-QTPLPEIMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  3,5-二甲基吡啶 、 [(Pd(μ-Cl)(2-(1-aminoethyl)phenyl-κ2C1,N))2] 以 二氯甲烷 为溶剂， 以79%的产率得到[2-(1-aminoethyl)phenyl-κ2C1,N]chloro(3,5-lutidine-κN)palladium(II)
  参考文献：
  名称：

  Fuchita, Yoshio; Yoshinaga, Kazuhiko; Ikeda, Yoshinori, Journal of the Chemical Society, Dalton Transactions, 1997, # 14, p. 2495 - 2500

  摘要：

  DOI：

文献信息

• Ordered binary crystals via cocrystallisation of quasiracemic Pd(ii) complexes in a borderline regime between inertness and lability
  作者：Beatrice Calmuschi、Maria Alesi、Ulli Englert

  DOI：10.1039/b316548e

  日期：——

  Square planar complexes of the type [2-(1-aminoethyl)phenyl-κ2C1,N]chloro(py-κN)palladium(II) (py = pyridine derivative) have been prepared by cyclopalladation of 1-phenylethylamine. When opposite enantiomers of the chiral amine and different pyridine ligands were coordinated to the metal, quasiracemic complexes were obtained. The racemisation speed of solutions containing equimolar amounts of such quasiracemic complexes was used to test the compounds for inertness: slow ligand exchange was found for methylated pyridines. Enantiomerically pure complexes of opposite chirality with the electron rich ligands 2,6-collidine and 2,4,6-lutidine were successfully cocrystallised: They form a well-ordered binary solid in which four independent molecules, two of each constituent, are related by pseudo symmetry operations. This quasiracemate as well as its components and the true racemates of the latter were characterised by single crystal X-ray diffraction. The heterochiral crystals, both the cocrystal as well as the racemates, show better space filling than the homochiral solids.

  通过环钯化 1-苯基乙胺，制备了[2-(1-氨基乙基)苯基-κ2C1,N]氯(吡-κN)钯(II)（吡=吡啶衍生物）类型的方形平面配合物。当手性胺的对映体和不同的吡啶配体配位到金属上时，就得到了类吡啶络合物。我们利用含有等摩尔量此类准手性配合物的溶液的消旋化速度来测试化合物的惰性：发现甲基化吡啶的配体交换速度较慢。与富含电子的配体 2,6-Collidine 和 2,4,6-Lutidine 具有相反手性的对映体纯络合物成功地进行了共晶体化：它们形成了一种秩序井然的二元固体，其中四个独立的分子（每个成分两个）通过假对称操作相互关联。通过单晶 X 射线衍射，对这种准外消旋体及其成分和后者的真正外消旋体进行了表征。异手性晶体（包括共晶体和外消旋体）比同手性固体显示出更好的空间填充性。