methyl(2-furyl)selane | 13129-43-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: methyl(2-furyl)selane
• 英文别名: 2-methylselanyl-furan；2-Methylselanylfuran
• CAS: 13129-43-6
• 化学式: C₅H₆OSe
• 分子量: 161.062
• InChiKey: QSKGRIHGCWDWHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  二(氰基苯)二氯化钯 、 methyl(2-furyl)selane 以 丙酮 为溶剂， 以82%的产率得到
  参考文献：
  名称：

  The condensation of trans-[PdCl2{(C4H3O)SeMe}2] with acetone: formation and crystal structure of [Pd2Cl2(μ-SeMe)2{MeSe(C4H2O)}2CMe2]

  摘要：

  两个trans-[PdCl2{(C4H3O)SeMe}2]复合物中呋咱环的缩合以及两个钯原子配位领域中的氯-硒相互作用导致形成一个二核复合物[Pd2Cl2(µ-SeMe)2{MeSe(C4H2O)}2-CMe2]。

  DOI：

  10.1039/a809111k

文献信息

• Complete assignment of1H and13C NMR data and establishment of the relative stereochemistry of C-1-functionalized 2,4-dimethyl-8-oxabicyclo[3.2.1] oct-6-en-3-one derivatives
  作者：Angel M. Montaña、Pedro M. Grima、Francisca García

  DOI：10.1002/(sici)1097-458x(199907)37:7<507::aid-mrc488>3.0.co;2-b

  日期：1999.7

  The total assignment of the 1H and 13C NMR spectra of 24 cis‐endo and 15 cis‐exo diastereoisomers of C‐1‐substituted 2,4‐dimethyl‐8‐oxabicyclo[3.2.1]oct‐6‐en‐3‐one derivatives was deduced from the concerted application of DEPT, COSY, HETCOR, HMBC, HMQC and PS‐NOESY experiments. The relative stereochemistry of major (cis‐endo) and minor (cis‐exo) diastereoisomers was established on the basis of correlation

  C-1取代的2,4-二甲基-8-氧杂双环[3.2.1]oct-6-en-3-one的24个顺-内和15个顺-外非对映异构体的1H和13C NMR谱的总归属衍生物是从 DEPT、COSY、HETCOR、HMBC、HMQC 和 PS-NOESY 实验的协同应用中推导出来的。主要（顺-内）和次要（顺-外）非对映异构体的相对立体化学是基于它们的 1H 和 13C NMR 数据的相关性研究建立的。版权所有 © 1999 John Wiley & Sons, Ltd.
• alpha-Hetero-substituted Furans as Dienes in [4+3] Cycloadditions with 1,3-Dimethyloxyallyl Cation for the Preparation of New Versatile Cycloheptane Synthons: A Study of the Factors Controlling the Diastereoselectivity.
  作者：Angel M. Montaña、Sandra Ribes、Pedro M. Grima、Francisca Garcia、Louisa Barré、Ole Hammerich、Inger Søtofte、Bengt Långström

  DOI：10.3891/acta.chem.scand.52-0453

  日期：——

  [4+3] Cycloaddition reactions of 2-functionalized furans with 1,3-dimethyloxyallyl cation, afford versatile polyfunctionalized cycloheptane synthons. Increasing electron-donating properties and/or decreasing size of the substituent at C-2 of furan improves yield but decreases stereoselectivity. The opposite effect is also observed, so, by designing a bulky enough alpha-substituent it is possible to obtain endo stereospecificity. cis Stereospecificity is observed in all studied cases and it is probably determined by the type of reaction mechanism.