3-tert-butoxymethyl iodobenzene | 343254-66-0

• 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-tert-butoxymethyl iodobenzene
• 英文别名: (3-Iodophenyl) methanol, tert.-butyl ether；1-iodo-3-[(2-methylpropan-2-yl)oxymethyl]benzene
• CAS: 343254-66-0
• 化学式: C₁₁H₁₅IO
• 分子量: 290.144
• InChiKey: KGLPPTCGGOENFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  282.0±23.0 °C(Predicted)
• 密度：
  1.448±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
• 保留指数：
  1577

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-tert-butoxymethyl iodobenzene 在 palladium diacetate 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四丁基溴化铵 、 potassium acetate 、 potassium carbonate 、 联硼酸频那醇酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 4-[4-(4-pyridyl)-phenyl]-3'-tert-butoxymethyl-stilbene
  参考文献：
  名称：

  New Fluorogenic Probes for Oxygen and Carbene Transfer:  A Sensitive Assay for Single Bead-Supported Catalysts

  摘要：

  A high-throughput screening assay for atom transfer catalysis has been developed. This assay is based on two probes, developed herein, which generate highly fluorescent products upon carbene or oxygen atom transfer. The emission wavelength of probes 1 and 5 shift significantly (up to 90 nm) upon epoxidation, allowing detection of product at 3% conversion. Probe 7 is not fluorescent, while fluorescence emission by carbene insertion/rearrangement product 8 allows detection at less than 1% conversion. Such sensitivity allows for examination of single-bead reactions in a high throughput array format (1536 wells per plate), and provides a broad detection window ranging from single to high turnover numbers. Thousands of metal complexes are evaluated in a single screening experiment. Preliminary screening of a diverse ligand library with probe 7 in the presence of Rh(II) uncovered new catalysts capable of cyclopropanation and C-H insertion.

  DOI：

  10.1021/ja003786+
• 作为产物：
  描述：

  3-碘苯甲醇 、 异丁烯 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到3-tert-butoxymethyl iodobenzene
  参考文献：
  名称：

  New Fluorogenic Probes for Oxygen and Carbene Transfer:  A Sensitive Assay for Single Bead-Supported Catalysts

  摘要：

  A high-throughput screening assay for atom transfer catalysis has been developed. This assay is based on two probes, developed herein, which generate highly fluorescent products upon carbene or oxygen atom transfer. The emission wavelength of probes 1 and 5 shift significantly (up to 90 nm) upon epoxidation, allowing detection of product at 3% conversion. Probe 7 is not fluorescent, while fluorescence emission by carbene insertion/rearrangement product 8 allows detection at less than 1% conversion. Such sensitivity allows for examination of single-bead reactions in a high throughput array format (1536 wells per plate), and provides a broad detection window ranging from single to high turnover numbers. Thousands of metal complexes are evaluated in a single screening experiment. Preliminary screening of a diverse ligand library with probe 7 in the presence of Rh(II) uncovered new catalysts capable of cyclopropanation and C-H insertion.

  DOI：

  10.1021/ja003786+

文献信息

• Hsp70 modulators and methods for making and using the same
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US10647683B2

  公开（公告）日：2020-05-12

  The present invention, among other things, provides compounds and compositions thereof for use in the modulation of Hsp70. In some embodiments, the present invention provides a method for inhibiting Hsp70 activity. In some embodiments, the present invention provides a method of treating a subject suffering from or susceptible to a disease, disorder, or condition responsive to Hsp70 inhibition comprising administering to the subject a therapeutically effective amount of a provided compound. In some embodiments, the present invention provides a method for treating or preventing cancer in a subject suffering therefrom, comprising administering to a patient in need thereof a therapeutically effective amount of a provided compound.

  除其他外，本发明提供了用于调节 Hsp70 的化合物及其组合物。在一些实施方案中，本发明提供了一种抑制 Hsp70 活性的方法。在一些实施方案中，本发明提供了一种治疗患有或易患对Hsp70抑制有反应的疾病、紊乱或状况的受试者的方法，包括给受试者施用治疗有效量的所提供的化合物。在一些实施方案中，本发明提供了一种治疗或预防癌症患者的方法，包括向有需要的患者施用治疗有效量的所提供的化合物。
• HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME
  申请人：Memorial Sloan Kettering Cancer Center

  公开号：US20170233352A1

  公开（公告）日：2017-08-17

  The present invention provides compounds I and II and compositions thereof for use in the modulation of Hsp70. In some embodiments, the present invention provides a method for inhibiting Hsp70 activity. In some embodiments, the present invention provides a method of treating a subject suffering from or susceptible to a disease, disorder, or condition responsive to Hsp70 inhibition comprising administering to the subject a therapeutically effective amount of a provided compound. In some embodiments, the present invention provides a method for treating or preventing cancer in a subject suffering therefrom, comprising administering to a patient in need thereof a therapeutically effective amount of a provided compound.
• US9878987B2
  申请人：——

  公开号：US9878987B2

  公开（公告）日：2018-01-30
• New Fluorogenic Probes for Oxygen and Carbene Transfer:  A Sensitive Assay for Single Bead-Supported Catalysts
  作者：Rayane Moreira、Miroslav Havranek、Dalibor Sames

  DOI：10.1021/ja003786+

  日期：2001.5.1

  A high-throughput screening assay for atom transfer catalysis has been developed. This assay is based on two probes, developed herein, which generate highly fluorescent products upon carbene or oxygen atom transfer. The emission wavelength of probes 1 and 5 shift significantly (up to 90 nm) upon epoxidation, allowing detection of product at 3% conversion. Probe 7 is not fluorescent, while fluorescence emission by carbene insertion/rearrangement product 8 allows detection at less than 1% conversion. Such sensitivity allows for examination of single-bead reactions in a high throughput array format (1536 wells per plate), and provides a broad detection window ranging from single to high turnover numbers. Thousands of metal complexes are evaluated in a single screening experiment. Preliminary screening of a diverse ligand library with probe 7 in the presence of Rh(II) uncovered new catalysts capable of cyclopropanation and C-H insertion.