N,N'-dimethyl-N,N'-ethylene-bis(L-alanine methyl amide) | 718605-26-6

• 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: N,N'-dimethyl-N,N'-ethylene-bis(L-alanine methyl amide)
• 英文别名: N,N'-ethylenebis(N-methyl-(S)-alanine methyl amide)；(2S)-N-methyl-2-[methyl-[2-[methyl-[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
• CAS: 718605-26-6
• 化学式: C₁₂H₂₆N₄O₂
• 分子量: 258.364
• InChiKey: NWJXYYZJGCQNJZ-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium tetrachloropalladate(II) 、 N,N'-dimethyl-N,N'-ethylene-bis(L-alanine methyl amide) 以 甲醇 、 乙腈 为溶剂， 生成 [PdCl2(N(S),N(S)-N,N'-ethylenebis(N-methyl-(S)-alanine methyl amide)]
  参考文献：
  名称：

  Helicity inversion from left- to right-handed square planar Pd(ii) complexes: synthesis of a diastereomer pair from a single chiral ligand and their structure dynamism

  摘要：

  从单一手性配体合成了一对非对映异构体--左手和右手方平面钯（II）配合物，作为动力学和热力学产物。在热和微波辐照条件下，非对映异构体之间的螺旋反转迅速发生。

  DOI：

  10.1039/c2cc18154a
• 作为产物：
  描述：

  甲胺 、 N,N'-dimethyl-N,N'-ethylene-bis(L-alanine methyl ester) 以 甲醇 为溶剂， 反应 168.0h， 以92%的产率得到N,N'-dimethyl-N,N'-ethylene-bis(L-alanine methyl amide)
  参考文献：
  名称：

  Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex

  摘要：

  The helical chirality of a Co(II) complex with a chiral tetradentate ligand is completely inverted from Lambda to Delta by the addition of achiral NO3- anion as an external stimulus.

  DOI：

  10.1021/ja049130o

文献信息

• Helicity inversion from left- to right-handed square planar Pd(ii) complexes: synthesis of a diastereomer pair from a single chiral ligand and their structure dynamism
  作者：Hiroyuki Miyake、Masashi Ueda、Saori Murota、Hideki Sugimoto、Hiroshi Tsukube

  DOI：10.1039/c2cc18154a

  日期：——

  A diastereomer pair of left- and right-handed square planar Pd(II) complexes was synthesized from a single chiral ligand as kinetic and thermodynamic products. Helicity inversion between the diastereomers occurred rapidly under thermal and microwave irradiation conditions.

  从单一手性配体合成了一对非对映异构体--左手和右手方平面钯（II）配合物，作为动力学和热力学产物。在热和微波辐照条件下，非对映异构体之间的螺旋反转迅速发生。
• Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex
  作者：Hiroyuki Miyake、Kana Yoshida、Hideki Sugimoto、Hiroshi Tsukube

  DOI：10.1021/ja049130o

  日期：2004.6.1

  The helical chirality of a Co(II) complex with a chiral tetradentate ligand is completely inverted from Lambda to Delta by the addition of achiral NO3- anion as an external stimulus.