2,6-dimethyl-4-(phenylselanyl)phenol | 65326-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,6-dimethyl-4-(phenylselanyl)phenol
• 英文别名: 2,6-dimethyl-4-(phenylseleno)phenol；2,6-Dimethyl-4-phenylselanylphenol
• CAS: 65326-01-4
• 化学式: C₁₄H₁₄OSe
• 分子量: 277.225
• InChiKey: LWAAXVKMXIJSDZ-UHFFFAOYSA-N

物化性质

• 熔点：
  29-30 °C(Solv: pentane (109-66-0))
• 沸点：
  389.4±42.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (4-Hydroxy-3,5-dimethyl-phenyl)-methyl-phenyl-selenonium; chloride 以 甲苯 为溶剂， 生成 2,6-dimethyl-4-(phenylselanyl)phenol
  参考文献：
  名称：

  Preparation of Alkyl or Phenyl Hydroxyaryl Selenides

  摘要：

  DOI：

  10.1055/s-1977-24585

文献信息

• DMSO/iodine-catalyzed oxidative C–Se/C–S bond formation: a regioselective synthesis of unsymmetrical chalcogenides with nitrogen- or oxygen-containing arenes
  作者：Sumbal Saba、Jamal Rafique、Antonio L. Braga

  DOI：10.1039/c5cy01503k

  日期：——

  greener protocol to access different types of unsymmetrical chalcogenides with nitrogen- or oxygen-containing arenes through oxidative C–Se/C–S formation via direct C(sp2)–H bond activation was developed. The products were obtained in good to excellent yields using [O or N]-containing arenes, half equiv. of various odorless diorganyl dichalcogenides (S/Se), iodine (20 mol%) as the catalyst and 3 equiv

  便捷的无金属和无溶剂碘催化的区域选择性绿色方案，可通过直接的C（sp 2）-H键通过氧化C-Se / C-S形成与含氮或含氧芳烃的不同类型的不对称硫族化物激活被开发。使用半当量的含[O或N]的芳烃以良好或优异的收率获得产物。各种无味的二有机基二卤化二氢（S / Se），碘（20摩尔％）作为催化剂，当量为3当量。用DMSO作为氧化剂，施加MW辐照10分钟。
• Relations between 77Se NMR chemical shifts of (phenylseleno)benzenes and their molecular structures derived from nine X-ray crystal structures
  作者：Jette Oddershede、Lars Henriksen、Sine Larsen

  DOI：10.1039/b211130f

  日期：2003.3.13

  An extensive library of 77Se chemical shifts have been generated from the NMR measurements on substituted (phenylseleno)benzenes, including 33 new compounds. The variation in chemical shifts cover 265 ppm ranging from 446 to 181 ppm. Crystal structures have been determined for nine selected representatives of the substituted (phenylseleno)benzenes. The analysis of the crystal structures supported that through-space interactions between selenium and the ortho-substituent observed in the crystal structures also are likely to be present in solution. The variation in the 77Se NMR chemical shifts can be rationalised from the intramolecular interactions with the substituent in the ortho-position. Furthermore it appears that these ortho-effects are roughly additive, and that it is the actual interactions and not the resulting conformational constraints that are responsible for the variations in the 77Se NMR chemical shifts.

  从取代的(苯基硒)苯的NMR测量中生成了一幅广泛的77Se化学位移库，包括33种新化合物。化学位移的变化范围覆盖了265 ppm，从446 ppm到181 ppm不等。 已确定九个选定的取代(苯基硒)苯的晶体结构。晶体结构的分析支持了在晶体结构中观察到的硒与邻位取代基之间的空间相互作用在溶液中也可能存在。 77Se NMR化学位移的变化可以从与邻位取代基的分子内相互作用中进行合理化。此外，这些邻效应似乎是粗略可加的，实际上影响77Se NMR化学位移变化的是相互作用，而不是由此产生的构象约束。
• 10.1021/acscatal.4c01660
  作者：Chen, Rui、Zheng, Tianyu、Jiang, Xiaojian、Yeung, Ying-Yeung

  DOI：10.1021/acscatal.4c01660

  日期：——
• Preparation of Alkyl or Phenyl Hydroxyaryl Selenides
  作者：Noritaka MIYOSHI、Yasuyuki AGARI、Shinji MURAI、Noboru SONODA

  DOI：10.1055/s-1977-24585

  日期：——