methyl(2,4,6-tri-t-butylphenyl)-selenide | 120041-65-8

• 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: methyl(2,4,6-tri-t-butylphenyl)-selenide
• 英文别名: methyl 2,4,6-tri-t-butylphenyl selenide；1,3,5-Tritert-butyl-2-methylselanylbenzene
• CAS: 120041-65-8
• 化学式: C₁₉H₃₂Se
• 分子量: 339.423
• InChiKey: QYBJGZOLNGRHMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.96
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  methyl(2,4,6-tri-t-butylphenyl)-selenide 在 titanium(IV) isopropylate 、 叔丁基过氧化氢 、 (-)-diethyl tartrate 作用下， 以 二氯甲烷 为溶剂， 反应 63.0h， 以15%的产率得到methyl 2,4,6-tri-t-butylphenyl selenoxide
  参考文献：
  名称：

  Sharpless 氧化条件下烷基芳基硒化物的不对称氧化

  摘要：

  在 Sharpless 氧化条件下，通过相应硒化物的不对称氧化合成光学活性烷基芳基硒氧化物。制备的旋光烷基芳基硒氧化物的绝对构型是通过将它们的圆二色光谱与旋光亚砜的圆二色光谱进行比较来估计的。

  DOI：

  10.1246/bcsj.62.2099
• 作为产物：
  描述：

  二甲基二硒醚 、 2,4,6-tri-tert-butylphenyllithium 生成 methyl(2,4,6-tri-t-butylphenyl)-selenide
  参考文献：
  名称：

  Sharpless 氧化条件下烷基芳基硒化物的不对称氧化

  摘要：

  在 Sharpless 氧化条件下，通过相应硒化物的不对称氧化合成光学活性烷基芳基硒氧化物。制备的旋光烷基芳基硒氧化物的绝对构型是通过将它们的圆二色光谱与旋光亚砜的圆二色光谱进行比较来估计的。

  DOI：

  10.1246/bcsj.62.2099

文献信息

• Solid state, structural and solution studies on bis(2-methylbenzyl)-selenide, methyl(2,4,6-tri-t-butylphenyl)-selenide, bis(2,4,6-tri-methylphenyl)-diselenide, and bis(2,4,6-tri-t-butylphenyl)-diselenide
  作者：Paul M. Dickson、Margaret A.D. McGowan、Burl Yearwood、Mary Jane Heeg、John P. Oliver

  DOI：10.1016/s0022-328x(99)00343-5

  日期：1999.10

  Two selenides, (2-MeBz)(2)Se (1) and MeMes*Se (2) and two diselenides, Mes(2)Se(2) (3) and Mes(2)*Se-2 (4) have been prepared and characterized by single-crystal X-ray diffraction and by NMR spectroscopy. The structure of 1 was solved in the orthorhombic space group Pbca (no. 61) with cell constants a = b = 13.944(10) Angstrom, c = 14.30(2) Angstrom. The structure of 2 was determined in space group P (1) over bar (no. 2) with cell constants a = 5.9443(5) Angstrom, b = 18.665(2) Angstrom, c = 26.372(3) Angstrom, alpha = 99.393(2)degrees, beta = 90.890(2)degrees and gamma = 92.703(2)degrees. The structures of 3 and 4 were determined in the monoclinic space group P2(1)/c (no. 14) with unit cell parameters for 3 of a = 6.333(1) Angstrom, b = 18.370(4) Angstrom, c = 5.122(3) Angstrom, beta = 97.42(3)degrees and for 4, a = 11.359(5) Angstrom, b = 10.520(8) Angstrom, c = 30.22(2) Angstrom and beta = 98.94(4)degrees. A rotational process has been studied in 4 and the kinetics and thermodynamic parameters for this process are determined from DNMR measurements using three different methods, measurement of coalescence temperatures, calculation of kinetic parameters using the line half-width approximation, and by full line shape analysis, The results from these three methods were compared. (C) 1999 Elsevier Science S.A. All rights reserved.
• SHIMIZU, TOSHIO;KOBAYASHI, MICHIO;KAMIGATA, NOBUMASA, BULL. CHEM. SOC. JAP., 62,(1989) N, C. 2099-2101
  作者：SHIMIZU, TOSHIO、KOBAYASHI, MICHIO、KAMIGATA, NOBUMASA

  DOI：——

  日期：——