2-Bromo-6-fluorophenylisothiocyanate | 1360888-03-4

• 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: 2-Bromo-6-fluorophenylisothiocyanate
• 英文别名: 1-bromo-3-fluoro-2-isothiocyanatobenzene
• CAS: 1360888-03-4
• 化学式: C₇H₃BrFNS
• 分子量: 232.076
• InChiKey: LCAYGHYSTSUSIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  284.7±30.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Bromo-6-fluorophenylisothiocyanate 、 5-[O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)oxymethyl]-5-amino-2,2-dimethyl-1,3-dioxane 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到5-[O-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyl)oxymethyl]-5-[N-(2-bromo-6-fluorophenylthiourea)]-2,2-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Synthesis and Preliminary Screening ofO-β-D-Galactopyranosides as Potential Mimic of UDP-GalpagainstMycobacterium tuberculosis

  摘要：

  O-Galactopyranosides were synthesized as potential mimics of uridine 5c-diphosphate galactopyranose (UDP-Galp), which is the substrate of the mutase enzyme involved in the mycobacterial cell wall biosynthesis by converting UDP-Galp to UDP-Galf. In vitro assay against the Mycobacterium tuberculosis H37Rv strain gave promising results with minimum inhibitory concentration (MIC) values in the range of 3.13 to 25 mu g/mL.

  DOI：

  10.1080/07328303.2011.654017

文献信息

• Synthesis and Preliminary Screening of<i>O-β-</i>D-Galactopyranosides as Potential Mimic of UDP-Gal<i>p</i>against<i>Mycobacterium tuberculosis</i>
  作者：G. Mugunthan、Dharmarajan Sriram、Perumal Yogeeswari、K. P. Ravindranathan Kartha

  DOI：10.1080/07328303.2011.654017

  日期：2012.9

  O-Galactopyranosides were synthesized as potential mimics of uridine 5c-diphosphate galactopyranose (UDP-Galp), which is the substrate of the mutase enzyme involved in the mycobacterial cell wall biosynthesis by converting UDP-Galp to UDP-Galf. In vitro assay against the Mycobacterium tuberculosis H37Rv strain gave promising results with minimum inhibitory concentration (MIC) values in the range of 3.13 to 25 mu g/mL.