2,3-Bis-N-(2',6'-xylyl)imino-5-phenyl-2,3-dihydrofuran. | 135981-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-Bis-N-(2',6'-xylyl)imino-5-phenyl-2,3-dihydrofuran.
• 英文别名: 2,3-bis(2,6-xylyl)imino-5-phenyl-2,3-dihydrofuran；2-N,3-N-bis(2,6-dimethylphenyl)-5-phenylfuran-2,3-diimine
• CAS: 135981-35-0
• 化学式: C₂₆H₂₄N₂O
• 分子量: 380.489
• InChiKey: BWPQXLFYEJHPBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴苯乙酮 、 alkaline earth salt of/the/ methylsulfuric acid 以 苯 为溶剂， 反应 3.0h， 以30%的产率得到2,3-Bis-N-(2',6'-xylyl)imino-5-phenyl-2,3-dihydrofuran.
  参考文献：
  名称：

  Reactions of dicobalt octa(isocyanide) with 2-bromoacetophenone

  摘要：

  The reaction of Co-2(XylNC)(8) (Xyl = 2,6-Me(2)C(6)H(3)) with 2-bromoacetophenone gave 2,3-bis(2,6-xylyl)imino-5-phenyl-2,3-dihy- drofuran (1a) and the cobalta-azacyclopentane derivative CoBr(PhCOCH)(XylNC)(6) (2a). Structures of 1a and 2a were determined by X-ray analyses; la is a furan derivative and 2a has a distorted octahedral structure containing a five-membered metallacyclic moiety formed by an multiple insertion of isocyanide into a Co-C bond. Similar treatment at reflux in the presence of xylyl isocyanide gave two kinds of octahedral compounds, 3a and 4a, having similar formula composition CoBr(PhCOCH)(XYINC)(5); 3a was found by X-ray analysis to have a cobaltacycle structure, containing a tridentate ligand consisting of sigma carbon, carbene and O-coordination sites, and 4a was proposed to have a cobalta-azacyclobutane framework.

  DOI：

  10.1016/0022-328x(94)05033-8

文献信息

• Cobalt-catalyzed Preparation of Diiminofuran Derivatives through Double Insertion of Isocyanide into a Metal–Carbon Bond
  作者：Kazuyoshi Sugano、Tomoaki Tanase、Kimiko Kobayashi、Yasuhiro Yamamoto

  DOI：10.1246/cl.1991.921

  日期：1991.6

  The reaction of 2-bromoacetophenone with XylNC (Xyl = 2,6-xylyl) in the presence of Et3N and cobalt complex such as Co2(XylNC)8, CoBr2(XylNC)4, [Co(XylNC)5](PF6) or Co(acac)3, gave 2,3-bis-N-(2′,6′-xylyl)imino-5-phenyl-2,3-dihydrofuran. The structure was confirmed by an X-ray crystallographic analysis.

  2-溴苯乙酮与 XylNC（Xyl = 2,6-二甲苯基）在 Et3N 和钴络合物（如 Co2(XylNC)8、CoBr2(XylNC)4、[Co(XylNC)5](PF6) 或Co(acac)3，得到2,3-双-N-(2',6'-二甲苯基)亚氨基-5-苯基-2,3-二氢呋喃。通过X射线晶体学分析证实了该结构。