4-(乙酰基氧基)-3-碘苯甲酸 | 190067-59-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 4-(乙酰基氧基)-3-碘苯甲酸
• 英文名称: 4-acetoxy-3-iodo-benzoic acid
• 英文别名: 4-Acetoxy-3-jod-benzoesaeure；4-Acetoxy-3-iodobenzoic acid；4-acetyloxy-3-iodobenzoic acid
• CAS: 190067-59-5
• 化学式: C₉H₇IO₄
• 分子量: 306.057
• InChiKey: DYVAJZPUBLUNSZ-UHFFFAOYSA-N

物化性质

• 熔点：
  172 °C
• 沸点：
  394.5±37.0 °C(Predicted)
• 密度：
  1.893±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(乙酰基氧基)-3-碘苯甲酸 在 氯化亚砜 、 四氯化锡 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 (4-hydroxy-3-iodophenyl)(2-(4-methoxyphenyl)-5-methylbenzofuran-3-yl)methanone
  参考文献：
  名称：

  Synthesis and antimicrobial evaluation of new benzofuran derivatives

  摘要：

  Thirteen compounds, based on benzofuran skeleton bearing aryl substituents at its C-3 position through methanone linker, were synthesized and screened for their antibacterial and antifungal activities against four bacteria Escherichia coli, Staphylococcus aureus, Methicillin-resistant S. aureus, Bacillus sub fills, and a fungus Candida albicans. Four hydrophobic benzofuran analogs were found to exhibit favorable antibacterial activities (MIC80 = 0.39-3.12 mu g/mL), which were better than the control drugs. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.04.053
• 作为产物：
  描述：

  对羟基苯甲酸甲酯 在 potassium iodide 、 sodium methylate 、 sodium 、 sodium thiosulfate 作用下， 以 甲醇 为溶剂， 生成 4-(乙酰基氧基)-3-碘苯甲酸
  参考文献：
  名称：

  Combinatorial solid phase synthesis of a library of benzofuran

  摘要：

  本发明涉及一种生成多种不同苯并呋喃衍生物的过程，以及利用该苯并呋喃衍生物搜索用于制药应用的新型化合物和具有所选特性的个体化合物的用途。

  公开号：

  US05919955A1

文献信息

• The influence of oxide and adsorbates on the nanomechanical response of silicon surfaces
  作者：S. A. Syed Asif、K. J. Wahl、R. J. Colton

  DOI：10.1557/jmr.2000.0081

  日期：2000.2

  In this article we report the influence of surface oxides and relative humidity on the nanomechanical response of hydrophobic and hydrophilic Si surfaces. Depth-sensing nanoindentation combined with force modulation enabled measurement of surface forces, surface energy, and interaction stiffness prior to contact. Several regimes of contact were investigated: pre-contact, apparent contact, elastic contact, and elasto-plastic contact. Both humidity and surface preparation influenced the surface mechanical properties in the pre- and apparent-contact regimes. Meniscus formation was observed for both hydrophobic and hydrophilic surfaces at high humidity. Influence of humidity was much less pronounced on hydrophobic surfaces and was fully reversible. In the elastic and elasto-plastic regimes, the mechanical response was dependent on oxide layer thickness. Irreversibility at small loads (300 nN) was due to the deformation of the surface oxide. Above 1 μN, the deformation was elastic until the mean contact pressure reached 11 GPa, whereby Si underwent a pressure-induced phase transformation resulting in oxide layer pop-in and breakthrough. The critical load required for pop-in was dependent on oxide thickness and tip radius. For thicker oxide layers, substrate influence was reduced and plastic deformation occurred within the oxide film itself without pop-in. Elastic modulus and hardness of both the oxide layer and Si substrate were measured quantitatively for depths <5 nm.

  在这篇文章中，我们报告了表面氧化物和相对湿度对疏水和亲水硅表面纳米机械响应的影响。深度感应纳米压痕与力调制相结合，可以测量接触前的表面力、表面能和相互作用刚度。研究了几种接触状态：预接触、表观接触、弹性接触和弹塑性接触。湿度和表面处理都会影响接触前和表面接触状态下的表面机械特性。在高湿度条件下，疏水和亲水表面都会形成半月板。湿度对疏水表面的影响要小得多，而且是完全可逆的。在弹性和弹塑性状态下，机械响应取决于氧化层厚度。小载荷（300 nN）下的不可逆性是由于表面氧化物的变形造成的。在 1 μN 以上，变形是弹性的，直到平均接触压力达到 11 GPa，硅发生压力诱导的相变，导致氧化层突入和突破。弹入所需的临界载荷取决于氧化层厚度和尖端半径。对于较厚的氧化层，基底的影响减小，塑性变形发生在氧化膜本身，而不会发生爆裂。对深度为 5 纳米的氧化层和硅基底的弹性模量和硬度进行了定量测量。
• 异苯并呋喃衍生物、其药物组合物和制剂以及 用途
  申请人：镇江圣安医药有限公司

  公开号：CN108640958B

  公开（公告）日：2021-03-30

  本发明提供用于SGLT‑2抑制剂的、具备式I结构的异苯并呋喃衍生物、其药物组合物和制剂以及用途。所述具有式I结构的异苯并呋喃衍生物，具有良好的SGLT‑2抑制活性和优异的药效学性能，以及较低的毒性。其中，R1、R2各自独立地为氢或氘，且至少含有一个氘。
• Solid phase synthesis of 2-substituted benzofurans via the palladium-catalysed heteroannulation of acetylenes
  作者：Daniele Fancelli、Maria Chiara Fagnola、Dino Severino、Angelo Bedeschi

  DOI：10.1016/s0040-4039(97)00301-8

  日期：1997.3

  The copper/palladium-promoted heteroannulation of terminal acetylenic compounds in the presence of resin bound ortho-hydroxy aryl iodides is described. The process produces a-substituted benzofuran derivatives in good yield and high purity. (C) 1997 Elsevier Science Ltd.
• COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES
  申请人：PHARMACIA & UPJOHN S.p.A.

  公开号：EP0858454A1

  公开（公告）日：1998-08-19
• US5919955A
  申请人：——

  公开号：US5919955A

  公开（公告）日：1999-07-06