(4-bromophenylsulfanyl)-triisopropylsilane | 123231-01-6

• 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-bromophenylsulfanyl)-triisopropylsilane
• 英文别名: 4-bromo-(tris(isopropyl)silylthio)benzene；[(4-bromophenyl)thio]tris(1-methylethyl)silane；(4-bromophenyl)sulfanyl-tri(propan-2-yl)silane
• CAS: 123231-01-6
• 化学式: C₁₅H₂₅BrSSi
• 分子量: 345.419
• InChiKey: ZXMZJZWGJIWZQF-UHFFFAOYSA-N

物化性质

• 沸点：
  356.7±34.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-溴苯腈 、 (4-bromophenylsulfanyl)-triisopropylsilane 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 生成
  参考文献：
  名称：

  Direct Probing Molecular Twist and Tilt in Aromatic Self-Assembled Monolayers

  摘要：

  Using a nitrile tailgroup as a spectroscopic marker, both twist and tilt of the aromatic backbones in several typical aromatic SAMs on Au(111) have been directly determined in a single experiment. Whereas the exact value of the twist angle depends on the molecular architecture, it was found to be quite noticeable in all SAMs (40-50 degrees) and close to the respective value for aromatic bulk systems (32 degrees).

  DOI：

  10.1021/ja0751882
• 作为产物：
  描述：

  对溴碘苯 、 三异丙基硅烷硫醇 在 四(三苯基膦)钯 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以52%的产率得到(4-bromophenylsulfanyl)-triisopropylsilane
  参考文献：
  名称：

  从芳基卤化物或三氟甲磺酸酯合成甲硅烷基保护的芳硫醇的通用有效方法

  摘要：

  已经开发了改进的钯催化的甲硅烷基保护的芳硫醇的合成。该方法由于其实验简单，高度通用性和高水平的官能团耐受性而特别有用。采用这种方法可以实现对映体纯的[2.2]对环烷-4-硫醇的首次合成。

  DOI：

  10.1002/adsc.200404299

文献信息

• Oxazoline arthropodicides
  申请人：E. I. du Pont de Nemours and Company

  公开号：US06107319A1

  公开（公告）日：2000-08-22

  Compounds of Formula I, and their agriculturally-suitable salts, are disclosed which are useful as arthropodicides ##STR1## wherein R.sup.1 -R.sup.5 and n are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling arthropods which involves contacting the arthropods or their environment with an effective amount of a compound of Formula I.

  本发明揭示了式I的化合物及其适用于农业的盐，其可用作节肢动物杀虫剂。其中R.sup.1-R.sup.5和n如披露中所定义。本发明还揭示了含有式I化合物的组合物，以及一种控制节肢动物的方法，其涉及将节肢动物或其环境与式I化合物的有效量接触。
• Discovery of Small-Molecule Inhibitors of the ATPase Activity of Human Papillomavirus E1 Helicase
  作者：Anne-Marie Faucher、Peter W. White、Christian Brochu、Chantal Grand-Maître、Jean Rancourt、Gulrez Fazal

  DOI：10.1021/jm034206x

  日期：2004.1.1

  The Boehringer Ingelheim compound collection was screened for inhibitors of the ATPase activity of human papillomavirus El helicase to develop antiviral agents that inhibit human papillomavirus (HPV) DNA replication. This screen led to the discovery of (biphenyl-4-sulfonyl)acetic acid 1, which inhibits the ATPase activity of HPV type 6 E1 helicase with a low micromolar IC50 value. A hit-to-lead exercise rapidly converted 1 into a low nanomolar lead series.
• Direct Probing Molecular Twist and Tilt in Aromatic Self-Assembled Monolayers
  作者：Nirmalya Ballav、Björn Schüpbach、Ole Dethloff、Peter Feulner、Andreas Terfort、Michael Zharnikov

  DOI：10.1021/ja0751882

  日期：2007.12.1

  Using a nitrile tailgroup as a spectroscopic marker, both twist and tilt of the aromatic backbones in several typical aromatic SAMs on Au(111) have been directly determined in a single experiment. Whereas the exact value of the twist angle depends on the molecular architecture, it was found to be quite noticeable in all SAMs (40-50 degrees) and close to the respective value for aromatic bulk systems (32 degrees).
• A General and Efficient Method for the Synthesis of Silyl-Protected Arenethiols from Aryl Halides or Triflates
  作者：Michael Kreis、Stefan Bräse

  DOI：10.1002/adsc.200404299

  日期：2005.2

  An improved palladium-catalyzed synthesis of silyl-protected arenethiols has been developed. This method is particularly useful because of its experimental simplicity, high generality and high level of functional group toleration. The first synthesis of enantiomerically pure [2.2]paracyclophane-4-thiol was realized employing this method.

  已经开发了改进的钯催化的甲硅烷基保护的芳硫醇的合成。该方法由于其实验简单，高度通用性和高水平的官能团耐受性而特别有用。采用这种方法可以实现对映体纯的[2.2]对环烷-4-硫醇的首次合成。