(E)-2-氯-N-[4-氯-2-[(羟基亚胺)苯基甲基]苯基]乙酰胺 | 2888-63-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (E)-2-氯-N-[4-氯-2-[(羟基亚胺)苯基甲基]苯基]乙酰胺
• 英文名称: 2-Chloracetamino-5-chlor-benzophenon-α-oxim
• 英文别名: 5-Chlor-2-chloracetamino-benzophenon-α-oxim；2'-Benzoyl-2,4'-dichloracetanilid-anti-oxim；2-Chloro-N-(4-chloro-2-((hydroxyimino)(phenyl)methyl)phenyl)acetamide；2-chloro-N-[4-chloro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]acetamide
• CAS: 2888-63-3
• 化学式: C₁₅H₁₂Cl₂N₂O₂
• 分子量: 323.178
• InChiKey: JGFXVLJITZQQDW-XDJHFCHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  (E)-2-氯-N-[4-氯-2-[(羟基亚胺)苯基甲基]苯基]乙酰胺 生成 舒宁
  参考文献：
  名称：

  Lattmann, Eric; Lattmann, Pornthip; Boonprakob, Yodchai, Arzneimittel-Forschung/Drug Research, 2009, vol. 59, # 2, p. 61 - 71

  摘要：

  DOI：
• 作为产物：
  描述：

  (2-氨基-5-氯苯基)(苯基)甲酮肟 、 氯乙酰氯 生成 (E)-2-氯-N-[4-氯-2-[(羟基亚胺)苯基甲基]苯基]乙酰胺
  参考文献：
  名称：

  Lattmann, Eric; Lattmann, Pornthip; Boonprakob, Yodchai, Arzneimittel-Forschung/Drug Research, 2009, vol. 59, # 2, p. 61 - 71

  摘要：

  DOI：

文献信息

• 2,12-Dichloro-10,20-diphenyl-5,7,15,17-tetrahydro-6<i>H</i>,16<i>H</i>-dibenzo[<i>d</i>,<i>l</i>][1,9,2,6,10,14]dioxotetraazacyclohexadecine-6,16-dione dioxane solvate as a potential macrocyclic hexadentate ligand
  作者：Victor N. Khrustalev、Eugene A. Komissarov、Oleg V. Kulikov

  DOI：10.1107/s0108270107021415

  日期：2007.7.15

  The macrocyclic title compound crystallizes as a dioxane solvate, C30H22Cl2N4O4 center dot C4H8O2, with two independent formula units in the unit cell. The observed syn conformation is controlled by both intramolecular N-H center dot center dot center dot O hydrogen bonds and intermolecular C-H center dot center dot center dot pi interactions. The relative macrocyclic inner bore is estimated to be 4.19 angstrom. In the crystal structure, molecules form dimers via intermolecular C-H center dot center dot center dot pi interactions, and these dimers are, in turn, linked to form columns along the a axis by intermolecular C-H center dot center dot center dot O hydrogen bonds. Both X-ray diffraction analysis and density functional theory (DFT) calculations reveal that the macrocycle possesses very high flexibility. This property, as well as the presence of six donor atoms accessible for coordination, makes the title macrocycle a very promising ligand for complexation with the majority of transition metals.
• Novel 3-substitued-1,4-benzodiazepines
  申请人：Lattmann Eric

  公开号：US20070185094A1

  公开（公告）日：2007-08-09

  The present invention relates to compounds of formula (I). The invention also relates to methods for preparing the compounds and their uses as CCK receptor ligands and CCK antagonists.
• Lattmann, Eric; Lattmann, Pornthip; Boonprakob, Yodchai, Arzneimittel-Forschung/Drug Research, 2009, vol. 59, # 2, p. 61 - 71
  作者：Lattmann, Eric、Lattmann, Pornthip、Boonprakob, Yodchai、Airarat, Wanchai、Singh, Harjit、Offel, Michael、Sattayasai, Jintana

  DOI：——

  日期：——