1-(Bromomethyl)-2,3,4-trimethylbenzene | 158549-30-5

• 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: 1-(Bromomethyl)-2,3,4-trimethylbenzene
• CAS: 158549-30-5
• 化学式: C₁₀H₁₃Br
• 分子量: 213.117
• InChiKey: FJVNGXCGSWJLTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  263.6±9.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  1-(Bromomethyl)-2,3,4-trimethylbenzene 生成 Desoxookenon
  参考文献：
  名称：

  Aasen,A.J.; Jensen,S.L., Acta Chemica Scandinavica (1947), 1967, vol. 21, p. 970 - 982

  摘要：

  DOI：
• 作为产物：
  描述：

  四甲基萘 以100%的产率得到
  参考文献：
  名称：

  Gruter Gert-Jan M., Akkerman Otto S., Bickelhaupt Friedrich, J. Org. Chem, 59 (1994) N 16, S 4473- 4481

  摘要：

  DOI：

文献信息

• Herbicidal 2-sulfinyl and 2-sulfonyl pyridine N-oxide derivatives
  申请人：Uniroyal Inc.

  公开号：US03960542A1

  公开（公告）日：1976-06-01

  Certain 2-sulfinyl and 2-sulfonyl pyridine N-oxide derivatives, e.g., 2-(2-chlorophenylmethylsulfonyl)pyridine N-oxide, useful in preemergence or postemergence control of weeds.

  某些2-磺酰基和2-磺酸基吡啶N-氧化物衍生物，例如2-(2-氯苯甲基磺酰基)吡啶N-氧化物，在除草的预出苗期或后出苗期中有用。
• Herbicidal method using 2-sulfinyl or 2-sulfonyl pyridine N-oxide
  申请人：Uniroyal Inc.

  公开号：US04019893A1

  公开（公告）日：1977-04-26

  Preemergence or postemergence control of weeds is effected by applying certain 2-sulfinyl or 2-sulfonyl pyridine N-oxide derivatives, e.g., 2-(4-chlorophenylmethylsulfonyl)pyridine N-oxide.

  通过应用某些2-磺酰基或2-亚磺酰基吡啶N-氧化物衍生物，例如2-(4-氯苯甲基磺酰基)吡啶N-氧化物，可以实现对杂草的萌发前或萌发后的控制。
• SYNTHESIS OF CAROTENOID ANALOGS OR DERIVATIVES WITH IMPROVED ANTIOXIDANT CHARACTERISTICS
  申请人：Foss Bente J.

  公开号：US20090099061A1

  公开（公告）日：2009-04-16

  A method is described for synthesizing and administering carotenoid compounds with improved antioxidant characteristics. In some embodiments, extension or improvement of conjugation may be employed in structural modification of carotenoids. In other embodiments, reduction of ring/chain steric hindrance may improve the lambda max, and hence, the overall antioxidant capability, of particular compounds. In other embodiments, introduction and/or increase in synthetic handles for conjugation may improve the stoichiometric ratios of conjugating moieties to the polyene backbone. The methods may be used to improve natural and/or synthetic compounds for medicinal application in the treatment of disease.

  本文描述了一种合成和给予具有改善抗氧化特性的类胡萝卜素化合物的方法。在某些实施方式中，可以采用共轭的扩展或改进来进行类胡萝卜素的结构修饰。在其他实施方式中，降低环/链位阻可能会提高特定化合物的lambda max，从而提高其整体抗氧化能力。在其他实施方式中，引入和/或增加用于共轭的合成手柄可能会改善共轭基团与多烯骨架的化学计量比。这些方法可用于改善天然和/或合成化合物，以用于治疗疾病的医学应用。
• Nuclear versus Side-Chain Bromination of Methyl-Substituted Anisoles by N-Bromosuccinimide
  作者：Gert-Jan M. Gruter、Otto S. Akkerman、Friedrich Bickelhaupt

  DOI：10.1021/jo00095a023

  日期：1994.8

  The reactions of methyl-substituted anisoles with N-bromosuccinimide in CCl4 are reported. In the absence of a catalyst and under irradiation, some of these substrates undergo nuclear bromination in competition with the well-known side-chain bromination. With 2-methylanisole and with 2,6-dimethylanisole, nuclear bromination is not observed, whereas with 3,5-dimethylanisole, nuclear bromination at the 4-position is the dominating reaction. Investigation of the reactivity of several other methyl-substituted anisoles revealed the following general trend: methyl-substituted anisoles are attacked at the position para to the methoxy group rather than at the side chain when (at least) two methyl groups are present at positions 3 and 5. When positions 2 and 6 are both occupied, nuclear bromination is retarded; in 2,6-dimethylanisole and in 2,3,6-trimethylanisole, only side-chain bromination is observed. In contrast, in 2,3,5,6-tetramethylanisole, the 4-position is sufficiently reactive to be brominated, because the decrease in reactivity by the presence of two methyl groups at positions 2 and 6 is overruled by the two additional methyl groups at positions 3 and 5; as a result, both nuclear and side-chain bromination occur. The observed chemospecificity can be rationalized by a difference in mechanism: the side-chain bromination is a radical reaction, while the nuclear bromination is an electrophilic aromatic substitution reaction, which is so far contrary to expectation, as irradiation had been expected to favor radical processes.
• Ho, Tse-Lok; Hall, T. W., Synthetic Communications, 1981, vol. 11, # 5, p. 371 - 374
  作者：Ho, Tse-Lok、Hall, T. W.

  DOI：——

  日期：——