3,5-dibromo-2-dimethylaminobenzoic acid | 146273-82-7

• 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: 3,5-dibromo-2-dimethylaminobenzoic acid
• 英文别名: 3,5-Dibromo-2-dimethylaminobenzoic acid；3,5-dibromo-2-(dimethylamino)benzoic acid
• CAS: 146273-82-7
• 化学式: C₉H₉Br₂NO₂
• 分子量: 322.984
• InChiKey: WKALSYXJUCXZGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-dibromo-2-dimethylaminobenzoic acid 在 劳森试剂 、 吡啶 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 10.5h， 生成 (+/-)-3,5-dibromo-2-dimethylamino-N,N-dimethylthiobenzamide
  参考文献：
  名称：

  Chiroptical detection during liquid chromatography, part 5: On-line measurement of circular dichroism spectra ??(?) during stops of chromatographic flow

  摘要：

  A procedure is described which serves to measure circular dichrograms DELTAepsilon (lambda) on line during stops of flow in liquid chromatography. Since the concentration of substrate in the spectrometer cell during the stop is not known, the differential absorption coefficients DELTAepsilon are calculated from the experimental differential absorbances DELTAA by means of UV absorption (i.e. photomultiplier voltage) data. Verifications of the procedure are obtained by its application to three substrates (Table 1), the DELTAepsilon (lambda) spectra of which were known. The present on-line technique is compared with a corresponding off-line method.The N,N-dimethylthiobenzamides 1 and 2 as well as the 9,10-phenanthrenequinone 7 consist of interconvertible enantiomers because their planar states are destabilized by steric overcrowding of groups. The unknown dichrograms DELTAepsilon (lambda) of 1, 2 and 7 are obtained (Figs. 2 and 4) and discussed with reference to the helicities of these molecules.

  DOI：

  10.1007/bf00810937
• 作为产物：
  描述：

  methyl 3,5-dibromo-2-dimethylaminobenzoate 在 sodium hydroxide 作用下， 反应 24.0h， 以60%的产率得到3,5-dibromo-2-dimethylaminobenzoic acid
  参考文献：
  名称：

  Chiroptical detection during liquid chromatography, part 5: On-line measurement of circular dichroism spectra ??(?) during stops of chromatographic flow

  摘要：

  A procedure is described which serves to measure circular dichrograms DELTAepsilon (lambda) on line during stops of flow in liquid chromatography. Since the concentration of substrate in the spectrometer cell during the stop is not known, the differential absorption coefficients DELTAepsilon are calculated from the experimental differential absorbances DELTAA by means of UV absorption (i.e. photomultiplier voltage) data. Verifications of the procedure are obtained by its application to three substrates (Table 1), the DELTAepsilon (lambda) spectra of which were known. The present on-line technique is compared with a corresponding off-line method.The N,N-dimethylthiobenzamides 1 and 2 as well as the 9,10-phenanthrenequinone 7 consist of interconvertible enantiomers because their planar states are destabilized by steric overcrowding of groups. The unknown dichrograms DELTAepsilon (lambda) of 1, 2 and 7 are obtained (Figs. 2 and 4) and discussed with reference to the helicities of these molecules.

  DOI：

  10.1007/bf00810937

文献信息

• Chiroptical detection during liquid chromatography, part 5: On-line measurement of circular dichroism spectra ??(?) during stops of chromatographic flow
  作者：Gert Brandl、Fritz Kastner、Rainer Fritsch、Herbert Zinner、Albrecht Mannschreck

  DOI：10.1007/bf00810937

  日期：1992.11

  A procedure is described which serves to measure circular dichrograms DELTAepsilon (lambda) on line during stops of flow in liquid chromatography. Since the concentration of substrate in the spectrometer cell during the stop is not known, the differential absorption coefficients DELTAepsilon are calculated from the experimental differential absorbances DELTAA by means of UV absorption (i.e. photomultiplier voltage) data. Verifications of the procedure are obtained by its application to three substrates (Table 1), the DELTAepsilon (lambda) spectra of which were known. The present on-line technique is compared with a corresponding off-line method.The N,N-dimethylthiobenzamides 1 and 2 as well as the 9,10-phenanthrenequinone 7 consist of interconvertible enantiomers because their planar states are destabilized by steric overcrowding of groups. The unknown dichrograms DELTAepsilon (lambda) of 1, 2 and 7 are obtained (Figs. 2 and 4) and discussed with reference to the helicities of these molecules.