1-(2,5-二氯-3,6-二甲基苯基)乙酮 | 164165-77-9

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,5-二氯-3,6-二甲基苯基)乙酮
• 英文名称: 2,5-dimethyl-3,6-dichloroacetophenone
• 英文别名: 2-acetyl-2,5-dichloro-p-xylene；6-acetyl-2,5-dichloroxylene；1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone
• CAS: 164165-77-9
• 化学式: C₁₀H₁₀Cl₂O
• mdl: MFCD17779313
• 分子量: 217.095
• InChiKey: XWFCYZDVVZNOKA-UHFFFAOYSA-N

物化性质

• 沸点：
  289.7±40.0 °C(Predicted)
• 密度：
  1.223

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(2,5-二氯-3,6-二甲基苯基)乙酮 在 potassium permanganate 、 potassium carbonate 作用下， 以 水 为溶剂， 以44%的产率得到3,6-二氯苯-1,2,4-三羧酸
  参考文献：
  名称：

  Improved Synthetic Procedures for 4,7,2‘,7‘-Tetrachloro- and 4‘,5‘-Dichloro-2‘,7‘-dimethoxy-5(and 6)-carboxyfluoresceins

  摘要：

  Literature syntheses of 4,7,2',7'-tetrachloro-5(and 6)-carboxyfluorescein ("5 and 6 TET") 1 and 4',5' dichloro-2',7'-dimethoxy-5(and 6) carboxyfluorescein ("5 and 6 JOE") 2 are reviewed, and new, preparatively useful methods are presented. A three-step synthesis of 1 was developed, which proved to be more efficient than the published seven step synthesis of this compound. The published synthesis of 2 also proved difficult to reproduce, and a better workup of the key intermediate 2-chloro-4-methoxy resorcinol was devised. Isolation of purified single isomers of both dyes is described.

  DOI：

  10.1021/op000292o
• 作为产物：
  描述：

  2,5-dimethyl-3,6-dichlorophenacyl chloride 在 异丙苯 、 四丁基溴化铵 作用下， 反应 66.0h， 以18%的产率得到1-(2,5-二氯-3,6-二甲基苯基)乙酮
  参考文献：
  名称：

  Trapping the Single Electron Transfer Intermediate in an SN2 Reaction

  摘要：

  DOI：

  10.1021/ja00116a053

文献信息

• Electrophoretic tag reagents comprising fluorescent compounds
  申请人：Aclara BioSciences, Inc.

  公开号：US20020146726A1

  公开（公告）日：2002-10-10

  Electrophoretic probes comprising fluorescent compounds as detection groups and mobility modifiers are disclosed for the multiplexed detection of the binding of, or interaction between, one or more ligands and target antiligands are provided. In one embodiment, detection involves the release of identifying tags as a consequence of target recognition. Target antiligands are contacted with a set of e-tag probes and the contacted antiligands are treated with a selected cleaving agent resulting in a mixture of e-tag reporters. Typically, uncleaved or partially cleaved e-tag probes are removed and the mixture of e-tag reporters is separated by any technique that provides for separation by mass or mass to charge ratio and the like and detected to provide for target identification.

  本发明提供了一种包含荧光化合物作为检测组和迁移修饰剂的电泳探针，用于多重检测一种或多种配体与目标抗配体之间的结合或相互作用。在一种实施方式中，检测涉及识别标签的释放，作为目标识别的结果。目标抗配体与一组e-tag探针接触，接触的抗配体经过选择的切割剂处理，导致e-tag报告物的混合物。通常，未切割或部分切割的e-tag探针被移除，e-tag报告物的混合物通过任何提供按质量或质量对电荷比分离的技术进行分离，并检测以提供目标识别。
• Compositions and methods employing cleavable electrophoretic tag reagents
  申请人：Aclara BioSciences, Inc.

  公开号：US20020142329A1

  公开（公告）日：2002-10-03

  Probe sets for the multiplexed detection of the binding of, or interaction between, one or more ligands and target antiligands are provided. Detection involves the release of identifying tags as a consequence of target recognition. The probe sets include electrophoretic tag probes or e-tag probes, comprising a detection region and a mobility-defining region called the mobility modifier, both linked to a target-binding moiety. Target antiligands are contacted with a set of e-tag probes and the contacted antiligands are treated with a selected cleaving agent resulting in a mixture of e-tag reporters and uncleaved and/or partially cleaved e-tag probes. The mixture is exposed to a capture agent effective to bind to uncleaved or partially cleaved e-tag probes, followed by electrophoretic separation. In a multiplexed assay, different released e-tag reporters may be separated and detected providing for target identification. The methods employ compositions comprising luminescent molecules such as, for example, fluorescent molecules, which are modified to provide for electrophoretic properties that differ for each modified luminescent molecule while maintaining substantially the same absorption, emission and quantum yield properties of the original luminescent molecule. The compositions may be cleavably linked to binding molecules to form the e-tag probes.

  提供了一种用于多重检测一种或多种配体与靶抗配体结合或相互作用的探针集。检测涉及到由于靶标识别而释放鉴别标记。该探针集包括电泳标记探针或e-tag探针，包括检测区域和称为迁移修饰因子的迁移定义区域，两者都连接到靶标结合基团。将靶抗配体与一组e-tag探针接触，并用选择的切割剂处理接触到的抗配体，导致e-tag报告物和未切割和/或部分切割的e-tag探针的混合物。混合物接触到有效结合到未切割或部分切割的e-tag探针的捕获剂，然后进行电泳分离。在多重检测中，不同的释放的e-tag报告物可以被分离和检测，从而实现靶标的识别。该方法采用包含发光分子的组合物，例如荧光分子，这些分子被修改以提供每种修改后的发光分子的电泳特性，同时保持原始发光分子的吸收、发射和量子产率特性基本相同。这些组合物可以与结合分子可剪切地连接以形成e-tag探针。
• 10.1016/j.jcat.2024.115680
  作者：Wang, Lixian、Sun, Qiangsheng、Wang, Bingyang、Meng, Xiangyun、Sun, Wei

  DOI：10.1016/j.jcat.2024.115680

  日期：——

  We describe here a manganese-catalyzed asymmetric transfer hydrogenation of hindered ketones containing 2,6-disubstituted phenyl group. This method is enabled by using a readily available chiral aminobenzimidazole manganese(I) complex as the catalyst in combination with ammonia borane compounds as the hydrogen source (especially, dimethylamine borane), producing the chiral alcohols with up to 99 %

  我们在这里描述了含2,6-二取代苯基的受阻酮的锰催化不对称转移氢化。该方法通过使用容易获得的手性氨基苯并咪唑锰(I)配合物作为催化剂，结合氨硼烷化合物作为氢源(特别是二甲胺硼烷)，生产出手性醇，其收率高达99%，收率令人满意。重要的是，2,6-二取代二苯甲酮可以顺利转化为目标产物，其ee高达95%，收率令人满意。
• US6673550B2
  申请人：——

  公开号：US6673550B2

  公开（公告）日：2004-01-06
• Trapping the Single Electron Transfer Intermediate in an SN2 Reaction
  作者：Paul Haberfield

  DOI：10.1021/ja00116a053

  日期：1995.3