(E)-2-(4'-Nitrobenzoylmethylene)thiazolidine | 134304-72-6

• 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: (E)-2-(4'-Nitrobenzoylmethylene)thiazolidine
• 英文别名: (E)-2-(4-nitrobenzoyl)methylenethiazolidine；(2E)-1-(4-nitrophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone
• CAS: 134304-72-6
• 化学式: C₁₁H₁₀N₂O₃S
• 分子量: 250.278
• InChiKey: DGXMGTPNZHAGGG-YRNVUSSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  72.24
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (E)-2-(4'-Nitrobenzoylmethylene)thiazolidine 在 劳森试剂 作用下， 以 苯 为溶剂， 反应 4.0h， 以61%的产率得到(E)-2-(4-nitrothiobenzoyl)methylenethiazolidine
  参考文献：
  名称：

  Conformational preferences of α-functionalised keten-S,N-acetals: Potential role of SO and SS interactions in solution

  摘要：

  PMR spectra of carbonyl compounds 2a-k reveal significant variations in the population off and Z Isomers on changing the solvent from CDCl3 to DMSO-d(6). In non-polar media, the intramolecular N-H....O hydrogen bonded form is exclusively observed. In DMSO-d(6), the alternative Z form is also populated. A similar conformational switch is also noted in the corresponding thiones. Different interpretations are critically analysed. The most consistent explanation is suggested to involvean interplay of N-H....X hydrogen bonding and S...X attractive interaction (X=0,S) in these systems. Ah initio calculations support this interpretation.

  DOI：

  10.1016/0040-4020(94)01023-s
• 作为产物：
  描述：

  巯基乙胺 、 alkaline earth salt of/the/ methylsulfuric acid 以 乙醇 为溶剂， 以44%的产率得到(E)-2-(4'-Nitrobenzoylmethylene)thiazolidine
  参考文献：
  名称：

  Conformational preferences of α-functionalised keten-S,N-acetals: Potential role of SO and SS interactions in solution

  摘要：

  PMR spectra of carbonyl compounds 2a-k reveal significant variations in the population off and Z Isomers on changing the solvent from CDCl3 to DMSO-d(6). In non-polar media, the intramolecular N-H....O hydrogen bonded form is exclusively observed. In DMSO-d(6), the alternative Z form is also populated. A similar conformational switch is also noted in the corresponding thiones. Different interpretations are critically analysed. The most consistent explanation is suggested to involvean interplay of N-H....X hydrogen bonding and S...X attractive interaction (X=0,S) in these systems. Ah initio calculations support this interpretation.

  DOI：

  10.1016/0040-4020(94)01023-s

文献信息

• Studies on conjugated nitriles. VI. Reaction of 2-methylquinoline and related compounds with acyl cyanides.
  作者：Masanori SAKAMOTO、Mitsuaki ABE、Keitaro ISHII

  DOI：10.1248/cpb.39.277

  日期：——

  The reactions of 2-methylquinoline (7), 2-methylbenzothiazole (25), and related compounds 8-11 and 26-30 with benzoyl cyanide (1) or 4-nitrobenzoyl cyanide (2) proceeded via the cyanohydrin derivatives to afford the corresponding C-acylated products 12-17 and 31-36.

  2-甲基喹啉（7）、2-甲基苯并噻唑（25）及相关的化合物8-11和26-30与苯甲酰腈（1）或4-硝基苯甲酰腈（2）的反应通过氰醇衍生物进行，得到相应的C-酰化产物12-17和31-36。
• SAKAMOTO, MASANORI;ABE, MITSUAKI;ISHII, KEITARO, CHEM. AND PHARM. BULL., 39,(1991) N, C. 277-281
  作者：SAKAMOTO, MASANORI、ABE, MITSUAKI、ISHII, KEITARO

  DOI：——

  日期：——