3-tert-butyl-1H-isotellurochromene | 211508-96-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 3-tert-butyl-1H-isotellurochromene
• 英文别名: 3-(1,1-Dimethylethyl)-1H-2-benzotellurin
• CAS: 211508-96-2
• 化学式: C₁₃H₁₆Te
• 分子量: 299.87
• InChiKey: APTBQCNLDVWLLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  3-tert-butyl-1H-isotellurochromene 在 磺酰氯 作用下， 以 正己烷 为溶剂， 反应 0.5h， 以100%的产率得到3-tert-butyl-2,2-dichloroisotellurochromene
  参考文献：
  名称：

  2-Substituted Isotellurochromenium Salt Derivatives: Preparations, Structures, Spectroscopic Properties

  摘要：

  Several types of novel isotellurochromenium salt derivatives (2-10) were prepared from the isotellurochromenes (1). The isotellurochromenium tetrafluoroborates (2), triflates (3-5), tosylates (6) and mesylates (7) are telluronium salts, and the dihalogenoisotellurochromenes (8-10) are telluranes. The molecular structures of the isotellurochromenium tosylate (6a) and the dichloroisotellurochromene (8a) were characterized by an X-ray crystallographic analysis using the 3-tert-butyl derivatives.

  DOI：

  10.3987/com-09-s(s)124
• 作为产物：
  描述：

  3-tert-butyl-2,2-dichloroisotellurochromene 在 sodium sulfide 作用下， 以 正己烷 、 水 为溶剂， 反应 0.17h， 以98%的产率得到3-tert-butyl-1H-isotellurochromene
  参考文献：
  名称：

  2-Substituted Isotellurochromenium Salt Derivatives: Preparations, Structures, Spectroscopic Properties

  摘要：

  Several types of novel isotellurochromenium salt derivatives (2-10) were prepared from the isotellurochromenes (1). The isotellurochromenium tetrafluoroborates (2), triflates (3-5), tosylates (6) and mesylates (7) are telluronium salts, and the dihalogenoisotellurochromenes (8-10) are telluranes. The molecular structures of the isotellurochromenium tosylate (6a) and the dichloroisotellurochromene (8a) were characterized by an X-ray crystallographic analysis using the 3-tert-butyl derivatives.

  DOI：

  10.3987/com-09-s(s)124

文献信息

• Studies on tellurium-containing heterocycles. Part 18.1 Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts
  作者：Haruki Sashida、Kazuo Ohyanagi、Mao Minoura、Kin-ya Akiba

  DOI：10.1039/b111045b

  日期：2002.2.22

  The regioselective and stereospecific intramolecular ring closure reactions of o-ethynylbenzyl tellurols 5A and o-ethynylbenzyl selenols 5B, which were readily generated by the reaction of the o-ethynylbenzyl bromides 4 with sodium hydrogen telluride (NaHTe) or sodium hydrogen selenide (NaHSe), produced the isotellurochromenes 6A and isoselenochromenes 6B together with (Z)-1-methylidene-2-telluraindans

  邻乙炔基苄基碲5A和邻乙炔基苄基硒醇5B的区域选择性和立体特异性分子内闭环反应，很容易通过邻乙炔基苄基溴化物4与碲化氢钠（NaHTe）或硒化氢钠（NaHSe）的反应而产生，分别与（Z）-1-亚甲基-2-telluraindans 7A和（Z）-1-亚甲基-2-硒代茚满7B一起生产了异硫代色酮6A和异硒烯色酮6B。获得的异色素 通过用下述方法处理，将6A和6B转化成相应的2-苯并碲并四氟硼酸根9A和2-苯并硒化吡啶并四氟硼酸根9B。四氟硼酸三苯基碳鎓（PH 3 Ç + BF 4 -分别以优良产率）。X射线的结构分析叔丁基还描述了衍生物9Ac和9Bc。
• Synthesis and properties of stable 2-metallanaphthalenes of heavier group 14 elements
  作者：Yoshiyuki Mizuhata、Takahiro Sasamori、Noriyoshi Nagahora、Yasuaki Watanabe、Yukio Furukawa、Norihiro Tokitoh

  DOI：10.1039/b718193k

  日期：——

  The first stable neutral stannaaromatic compound, 2-stannanaphthalene , was synthesized by taking advantage of an extremely bulky and efficient steric protection group, 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl (Tbt). The molecular structure and aromaticity of were discussed on the basis of X-ray crystallographic analysis, NMR, UV-vis, and Raman spectroscopy, cyclic voltammetry, and theoretical calculations

  第一个稳定的中性锡烷基芳族化合物2-stannanaphthalene是利用一个非常庞大和有效的空间保护基团2,4,6-三[双（三（三甲基甲硅烷基）甲基]苯基（Tbt）合成的。在X射线晶体学分析，NMR，UV-vis和拉曼光谱，循环伏安法和理论计算的基础上，讨论了其分子结构和芳香性。合成了具有相似于2的骨架的2-锗金属萘进行比较，并系统地阐明了含有更重的14族元素（Si，Ge或Sn）的2-metallanaphthalene系统的性能。
• A Stable Neutral Stannaaromatic Compound:  Synthesis, Structure and Complexation of a Kinetically Stabilized 2-Stannanaphthalene
  作者：Yoshiyuki Mizuhata、Takahiro Sasamori、Nobuhiro Takeda、Norihiro Tokitoh

  DOI：10.1021/ja057531d

  日期：2006.2.1

  A kinetically stabilized 2-stannanaphthalene, the first example of a stable, neutral aromatic compound containing a tin atom, has been synthesized and fully characterized. The results of spectroscopic and crystallographic structural analyses of the compound and theoretical calculations using model compounds strongly suggest that it has a delocalized 10pi-electron ring system as does naphthalene. In

  动力学稳定的 2-锡萘是第一个含有锡原子的稳定中性芳香族化合物的例子，已被合成并充分表征。该化合物的光谱和晶体结构分析以及使用模型化合物的理论计算结果强烈表明，它与萘一样具有离域的 10pi 电子环系统。此外，发现它在与 [Cr(CH3CN)3(CO)3] 的配体交换反应中充当 eta6-芳烃配体，产生第一个稳定的 eta6-2-锡萘铬配合物。
• Novel Oxidative Ring Opening Reaction of 1H-Isotelluro-chromenes to Bis(o-formylstyryl) Ditellurides
  作者：Haruki Sashida、Hirohito Satoh、Kazuo Ohyanagi、Mamoru Kaname

  DOI：10.3390/molecules15031466

  日期：——

  The oxidation of 1-unsubstituted or 1-phenyl-1H-isotellurochromenes with m-chloroperbenzoic acid (mCPBA) in CHCl3 resulted in a ring opening reaction to produce as the sole products the corresponding o-formyl or benzoyl distyryl ditellurides, which were also produced by the hydrolysis of the 2-benzotelluropyrylium salts readily prepared from the parent isotellurochromene.

  1-unsubstituted or 1-phenyl-1H-isotellurochromenes with m-chloroperbenzoic acid (mCPBA) in CHCl3 的氧化反应导致开环反应，生成的唯一产物是相应的邻甲酰基或苯甲酰基二丙烯基二碲化物。
• Studies on Tellurium-Containing Heterocycles. Part 20. Reactions of 2-Benzoselenopyrylium Salts and 2-Benzotelluropyrylium Salts with Nucleophiles: Formation of 1-Functionalized 1H-Isoselenochromenes and 1H-Isotellurochromenes
  作者：Haruki Sashida、Kazuo Ohyanagi

  DOI：10.1248/cpb.52.57

  日期：——

  were produced by the reaction of the salts 1 with Grignard reagents, were converted to the corresponding 1,3-disubstituted 2-benzopyrylium salts (14-17, 19) by treatment with triphenylcarbenium tetrafluoroborate (Ph(3)C(+) BF(4)(-)), respectively. The 1-benzylselenopyrylium salts (19A) and 1-benzyltelluropyrylium salts (19B) exist in the solvent as an equilibrium mixture of the salts (19) and the corresponding

  研究了2-苯并硒基吡啶鎓（1A）和2-苯并碲基吡啶鎓阳离子（1B）与各种亲核试剂的反应。LiAlH（4），醇钠（NaOMe，NaOi-Pr和NaOt-Bu），二乙胺，正丁胺和丙酮与1反应生成1H-异色酮（2）和相应的1取代的产物（4-9）在温和条件下几乎可以达到高产。通过盐1与格利雅试剂反应生成的1-烷基（苯基）异硒烯二酮（10-13）和1-苄基异铬烯酮（18A，18B）被转化为相应的1,3-二取代的2-苯并吡啶鎓分别用四氟硼酸三苯基碳鎓（Ph（3）C（+）BF（4）（-））处理盐（14-17，19）。