1,4-Bis(bromomethyl)-2,6-dimethylbenzene | 148873-79-4

• 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: 1,4-Bis(bromomethyl)-2,6-dimethylbenzene
• 英文别名: 2,5-Bis(bromomethyl)-1,3-dimethylbenzene
• CAS: 148873-79-4
• 化学式: C₁₀H₁₂Br₂
• 分子量: 292.013
• InChiKey: OJXMOPVOQHEPLD-UHFFFAOYSA-N

物化性质

• 沸点：
  315.0±37.0 °C(Predicted)
• 密度：
  1.613±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  2
• 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：

  1,4-Bis(bromomethyl)-2,6-dimethylbenzene 在 氢氧化钾 、 硫脲 作用下， 生成 1,4-bis(mercaptomethyl)-2,6-dimethylbenzene
  参考文献：
  名称：

  Lai, Yee-Hing; Yap, Angeline Hui-Tin, Journal of the Chemical Society. Perkin transactions II, 1993, # 4, p. 703 - 708

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-Bis(hydroxymethyl)-2,6-dimethylbenzene 在 三溴化磷 作用下， 以 苯 为溶剂， 反应 18.0h， 以86%的产率得到1,4-Bis(bromomethyl)-2,6-dimethylbenzene
  参考文献：
  名称：

  Conformational Studies of Selectively Methylated [2.2](1,3)(1,4)Cyclophanes. Steric Effects in the Relative Conformational Ground States

  摘要：

  Three selectively methylated [2.2](1,3)(1,4)cyclophanes, namely, 12,15-dimethyl-, 12,16-dimethyl-, and 12,13,14,15-tetramethyl[2.2](1,3)(1,4)cyclophanes, were synthesized from their corresponding dithia[3.3](1,3)(1,4)cyclophanes by the photochemical desulfurization method. Dynamic H-1 NMR spectroscopy was employed to estimate the relative conformational barrier in each [2.2]cyclophane. The results show that there is an increase of about 13 kJ mol(-1) going from the parent [2.2](1,3)(1,4)cyclophane to its 12,15- and 12,16-dimethyl derivatives. This is consistent with the fact that the presence of the methyl substituents increases the relative conformational ground-state energy more than it would affect the transition-state energy. The conformational barrier of the 12,13,15,16-tetramethyl derivative was unexpectedly found to be similar to those of the two dimethylated derivatives. This however could be explained by a decrease in the transition-state energy due to inward bending of the (1,4)-bridged ring accompanied by a decrease in conformational ground-state energy due to outward bending of the methyl groups.

  DOI：

  10.1021/jo00091a027

文献信息

• Detection of cleavage activity of an enzyme
  申请人：Mologic Limited

  公开号：US10866236B2

  公开（公告）日：2020-12-15

  The present invention relates to detecting cleavage activity of an enzyme. The various aspects of the invention include an enzyme detection device, kit, method and use for detecting or measuring the presence in a test sample of the activity of an enzyme capable of cleaving a substrate. The invention also relates to indicator and binding molecules useful for carrying out the invention. The enzyme substrate contains a hidden binding site which is only revealed upon cleavage by the enzyme.

  本发明涉及检测酶的裂解活性。本发明的各个方面包括一种酶检测装置、试剂盒、方法和用途，用于检测或测量检测样品中是否存在能够裂解底物的酶的活性。本发明还涉及用于实施本发明的指示剂和结合分子。酶底物含有一个隐藏的结合位点，只有在被酶裂解时才会显示出来。
• Lai Yee-Hing, Yap Angeline Hui-Tin, Novak Igor, J. Org. Chem, 59 (1994) N 12, S 3381-3385
  作者：Lai Yee-Hing, Yap Angeline Hui-Tin, Novak Igor

  DOI：——

  日期：——
• Lai Yee-Hing, Yap Angeline Hui-Tin, J. Chem. Soc. Perkin Trans. 2, (1993) N 4, S 703- 708
  作者：Lai Yee-Hing, Yap Angeline Hui-Tin

  DOI：——

  日期：——
• DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME
  申请人：Mologic Limited

  公开号：EP3060915A2

  公开（公告）日：2016-08-31
• MONITORING INFLAMMATION STATUS
  申请人：Mologic Limited

  公开号：EP3111226B1

  公开（公告）日：2019-05-01