2-bromo-1-tert-butyl-3,4,5-trimethylbenzene | 16358-70-6

• 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: 2-bromo-1-tert-butyl-3,4,5-trimethylbenzene
• 英文别名: 4-Brom-5-tert.-butyl-hemimellit；4-Brom-1.2.3-trimethyl-5-tert.-butyl-benzol；1-Brom-6-tert-butyl-2,3,4-trimethyl-benzol；1-bromo-2-tert-butyl-4,5,6-trimethylbenzene；2-Brom-1-tert-butyl-3,4,5-trimethyl-benzol；Bromobenzene, 2,3,4-trimethyl-6-t-butyl-
• CAS: 16358-70-6
• 化学式: C₁₃H₁₉Br
• 分子量: 255.198
• InChiKey: CZCQZMCDJDINNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  2-bromo-1-tert-butyl-3,4,5-trimethylbenzene 在 lithium aluminium tetrahydride 、 碘 、 氧气 、 sodium acetate 、 dinitrogen tetraoxide 、 magnesium 、 1,2-二溴乙烷 作用下， 以 四氯化碳 、 乙醚 、 一氟三氯甲烷 为溶剂， 反应 4.5h， 生成 (6-tert-butyl-2,3,4-trimethylphenyl) phenyl ketone
  参考文献：
  名称：

  位阻羰基氧化物和二环氧乙烷 ? (6-叔丁基-2,3,4-三甲基苯基)苯基羰基O-氧化物和(6-叔丁基-2,3,4-三甲基苯基)苯基二环氧乙烷

  摘要：

  (6-tert-Butyl-2,3,4-trimethylphenyl)phenylcarbonyl O-oxide (1b) 是通过重氮化合物 6b 在有机玻璃和溶液中的光氧化生成的，并通过 UV/Vis 光谱和其光-和热化学。在 230 K 下为 4.5 分钟，1b 的半衰期比二甲基酮 O-氧化物 (1a) 的半衰期小得多。唯一明确检测到的 1b 热产物是相应的酮 3b。异构 (6-叔丁基-2,3,4-三甲基苯基) 苯基二环氧乙烷 (2b) 也可以合成并通过 NMR 光谱表征。在 20 °C 下，该二环氧乙烷的半衰期为 20 分钟，重排为异色满衍生物 11 作为唯一产物。讨论了这种重排的合理机制，其中涉及非活化 CH 键的羟基化。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim,

  DOI：

  10.1002/ejoc.200400437
• 作为产物：
  描述：

  3-Brom-2.6-dimethyl-4-tert.-butyl-benzylchlorid 在 palladium on activated charcoal 氢气 作用下， 生成 2-bromo-1-tert-butyl-3,4,5-trimethylbenzene
  参考文献：
  名称：

  Carissimi,M. et al., Farmaco, Edizione Scientifica, 1962, vol. 17, p. 81 - 89

  摘要：

  DOI：

文献信息

• Akkerman,O.S., Recueil des Travaux Chimiques des Pays-Bas, 1967, vol. 86, p. 1018 - 1024
  作者：Akkerman,O.S.

  DOI：——

  日期：——
• THE STRUCTURE OF MUSK KETONE AND MUSK TIBETENE¹
  作者：REYNOLD C. FUSON、JACK MILLS、THEODORE G. KLOSE、M. S. CARPENTER

  DOI：10.1021/jo01168a016

  日期：1947.7
• Nest materials and some chemical characteristics of nests of a New World swarm-founding polistine wasp,<i>Polybia paulista</i>(Hymenoptera Vespidae)
  作者：K. Kudô、Sô. Yamane、S. Mateus、K. Tsuchida、Y. Itô、S. Miyano、H. Yamamoto、R. Zucchi

  DOI：10.1080/08927014.2001.9522766

  日期：2001.10

  Nest material, nitrogen and amino acid composition of nests Were examined in a New World swarm-founding polistine wasp, Polybia paulista. This wasp used minute vegetable chips, Which Were a dominant material, plant hairs, and mud and/or inorganic particles as nest building materials. A SEM observation and nitrogen and amino acid contents indicated that the amount of oral secretion used for construction and maintenance of the nests was quite small, compared With that used in Polistes nests. Such a small amount of oral secretion used for nest building is considered to be associated with their social organization (division of labor) and nest material. This study hypothesized that the amounts of oral secretion used for nest building are determined by an interaction among social organization, nest material and environmental factors, such as precipitation.Twenty-four amino acids were detected from protein in the nests of P. paulista, of which serine, glycine, alanine, valine, proline, aspartic acid and glutamic acid were major components. Amino acid composition of the protein in the nests of P. paulista differed distinctly from those of other so far known polistine and vespine wasps. The present result supports the view that amino acid composition of the protein in nests reflects phylogenetical relationships among wasps.
• New Plumbylenes and a Plumbylene Dimer with a Short Lead−Lead Separation^,¹
  作者：Martin Stürmann、Manfred Weidenbruch、Karl W. Klinkhammer、Falk Lissner、Heinrich Marsmann

  DOI：10.1021/om9804475

  日期：1998.9.1

  The diarylplumbylene R2Pb: (3), R = 2-tBu-4,5,6-Me3C6H, and the rearranged alkylarylplumbylene RR'Pb:, R = 2,4,6-tBu(3)C(6)H(2), R' = CH2C(CH3)(2)-3,5-tBu(2)C(6)H(3), were synthesized and characterized by NMR and UV/vis spectroscopy, as well as by X-ray crystallography, Treatment of 3 with the disilylplumbylene R-2" Pb:, R " = Si(SiMe3)(3), furnished the heteroleptic plumbylene RR " Pb: (8), which, in the solid state, forms the plumbylene dimer RR " PbPbRR " (9), The X-ray structure analysis of 9 reveals a trans-bent angle of 46.5 degrees and a Pb ... Pb separation of 3.37 Angstrom, the shortest observed so far between the lead atoms of two plumbylenes.
• Carissimi,M. et al., Farmaco, Edizione Scientifica, 1962, vol. 17, p. 81 - 89
  作者：Carissimi,M. et al.

  DOI：——

  日期：——