4-iodo-23,5-dichloro phenol | 1335097-16-9

• 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: 4-iodo-23,5-dichloro phenol
• 英文别名: 3,5-dichloro-4-iodophenol
• CAS: 1335097-16-9
• 化学式: C₆H₃Cl₂IO
• 分子量: 288.9
• InChiKey: WAQBEROQLNMTNM-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C(Solv: hexane (110-54-3))
• 沸点：
  328.2±42.0 °C(Predicted)
• 密度：
  2.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-iodo-23,5-dichloro phenol 在 potassium tert-butylate 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 2.58h， 生成
  参考文献：
  名称：

  Ambigol 蓝藻天然产物类和简化合成类似物的抗菌潜力

  摘要：

  ambigols 是蓝藻天然产物，其特征在于由联芳基和联芳基醚桥连接的三个多氯芳香族结构单元。迄今为止已知的所有ambigols都具有有前途的生物活性。最重要的是，ambigol A 据报道对革兰氏阳性菌（例如巨大芽孢杆菌和枯草芽孢杆菌）具有抗菌活性。基于我们之前对该天然产品家族的生物和全合成研究，我们建立了一个多样化的化合物库，用于深入的生物学评估。为了详细探索抗菌潜力并确定该产品类别的初始结构-活性关系，针对选定的细菌和念珠菌目标菌株筛选了大量二聚体和三聚体化合物。我们的结果揭示了 ambigol 的卓越抗生素活性，特别是针对具有挑战性的临床分离株。

  DOI：

  10.1021/acsinfecdis.3c00232
• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 反应 2.0h， 以835 mg的产率得到4-iodo-23,5-dichloro phenol
  参考文献：
  名称：

  Synthesis and Arm Dissociation in Molecular Stars with a Spoked Wheel Core and Bottlebrush Arms

  摘要：

  Unique star-like polymeric architectures composed of bottlebrush arms and a molecular spoked wheel (MSW) core were prepared by atom transfer radical polymerization (ATRP). A hexahydroxy-functionalized MSW (MSW(6-OH)) was synthesized and converted into a six-fold ATRP initiator (MSW(6-Br)). Linear chain arms were grafted from MSW(6-Br) and subsequently functionalized with ATRP moieties to form six-arm macroinitiators. Grafting of side chains from the macroinitiators yielded four different star-shaped bottlebrushes with varying lengths of arms and side chains, i.e., (450-g-20)6, (450-g-40)6, (300-g-60)6, and (300-g-150)6. Gel permeation chromatography analysis and molecular imaging by atomic force microscopy confirmed the formation of well-defined macromolecules with narrow molecular weight distributions. Upon adsorption to an aqueous substrate, the bottlebrush arms underwent prompt dissociation from the MSW core, followed by scission of covalent bonds in the bottlebrush backbones. The preferential cleavage of the arms is attributed to strong steric repulsion between bottlebrushes at the MSW branching center. Star-shaped macroinitiators may undergo aggregation which can be prevented by sonication.

  DOI：

  10.1021/ja506780y

文献信息

• Regioselective iodination of chlorinated aromatic compounds using silver salts
  作者：Sudhir N. Joshi、Sandhya M. Vyas、Huimin Wu、Michael W. Duffel、Sean Parkin、Hans-Joachim Lehmler

  DOI：10.1016/j.tet.2011.07.064

  日期：2011.9

  The iodination of chlorinated aromatic compounds using Ag2SO4/I2, AgSbF6/I2, AgBF4/I2, and AgPF6/I2 offers access to iodoarenes that are valuable intermediates in organic synthesis. Specifically, iodination of phenols, anisoles, and anilines with a 3,5-dichloro substitution pattern preferentially yielded the ortho, para, and para iodinated product, respectively. In the case of chlorobenzene and 3-chlorotoluene

  使用 Ag 2 SO 4 /I 2、AgSbF 6 /I 2、AgBF 4 /I 2和 AgPF 6 /I 2对氯化芳族化合物进行碘化可提供有机合成中有价值的中间体碘芳烃。具体而言，苯酚、苯甲醚和苯胺以 3,5-二氯取代模式碘化分别优先产生邻位、对位和对位碘化产物。在氯苯和3-氯甲苯的情况下，AgSbF 6 /I 2、AgBF 4 /I 2和AgPF 6 /I 2，但不是Ag 2 SO 4 /I 2，选择性地将碘引入氯取代基的对位。
• Isoxazole derivatives as nuclear receptor agonists and uses thereof
  申请人：IL DONG PHARMACEUTICAL CO., LTD.

  公开号：US10988449B2

  公开（公告）日：2021-04-27

  The present invention relates to isoxazole derivatives, including pharmaceutical compositions and for the preparation of isoxazole derivatives. And more particularly the present invention provided a pharmaceutical composition of isoxazole derivatives for activation of Farnesoid X receptor (FXR, NR1H4).

  本发明涉及异噁唑衍生物，包括药物组合物和异噁唑衍生物的制备方法。更具体地说，本发明提供了一种异噁唑衍生物的药物组合物，用于激活法尼类固醇 X 受体（FXR，NR1H4）。
• ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF
  申请人：IL DONG PHARMACEUTICAL CO., LTD.

  公开号：US20200115349A1

  公开（公告）日：2020-04-16

  The present invention relates to isoxazole derivatives, including pharmaceutical compositions and for the preparation of isoxazole derivatives. And more particularly the present invention provided a pharmaceutical composition of isoxazole derivatives for activation of Farnesoid X receptor (FXR, NR1H4).