2-acetoxy-5-iodo-benzoyl chloride | 5538-54-5

• 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-acetoxy-5-iodo-benzoyl chloride
• 英文别名: 2-Acetoxy-5-jod-benzoylchlorid；(2-Carbonochloridoyl-4-iodophenyl) acetate
• CAS: 5538-54-5
• 化学式: C₉H₆ClIO₃
• 分子量: 324.502
• InChiKey: OFMBWSNTDZINLV-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73 °C
• 沸点：
  363.8±37.0 °C(Predicted)
• 密度：
  1.848±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-acetoxy-5-iodo-benzoyl chloride 以72%的产率得到
  参考文献：
  名称：

  KALKOTE U. R.; GOSWAMI D. D., J. INDIAN CHEM. SOC.,

  摘要：

  DOI：
• 作为产物：
  描述：

  5-碘水杨酸 在 草酰氯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-acetoxy-5-iodo-benzoyl chloride
  参考文献：
  名称：

  新型1,3-苯并恶嗪衍生物作为K +通道开放剂的合成及其生物活性。

  摘要：

  设计了一系列在C4处带有2-吡啶1-氧化物基团的1,3-苯并恶嗪衍生物新系列，以探索新型的K +通道开放剂。通过使用亚氨基三氟甲磺酸的钯（0）催化的碳-碳键形成反应与有机锌试剂进行合成，并通过新的一锅一锅的苯甲酰基吡啶的1,3-苯并恶嗪骨架形成反应进行合成。测试了这些化合物在四乙基氯化铵（TEA）中的血管舒张活性，以及​​BaCl2诱导的和高KCl诱导的大鼠主动脉收缩，以确定潜在的K +通道开放剂，以及在自发性高血压大鼠中的口服降压作用。1,3-苯并恶嗪核的C6处具有适当形状的吸电子基团和C7处具有甲基或卤代基团是开发最佳血管舒张剂和降血压活性所必需的。特别是，

  DOI：

  10.1248/cpb.44.734

文献信息

• Novel quinolizidine salicylamide influenza fusion inhibitors
  作者：Kuo-Long Yu、Edward Ruediger、Guangxiang Luo、Christopher Cianci、Stephanie Danetz、Laurence Tiley、Ashok K. Trehan、Ivo Monkovic、Bradley Pearce、Alain Martel、Mark Krystal、Nicholas A. Meanwell

  DOI：10.1016/s0960-894x(99)00361-3

  日期：1999.8

  A novel series of quinolizidine salicylamides was synthesized as specific inhibitors of the H1 subtype of influenza A viruses. These inhibitors inhibit the pH-induced fusion process, thereby blocking viral entry into host cells. Compound 16 was the most active inhibitor in this series with an EC50 of 0.25 mu g/mL in plaque reduction assay. The synthesis and the SAR of these compounds are discussed. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Synthesis and Evaluation of Compounds That Facilitate the Gastrointestinal Absorption of Heparin
  作者：Andrea Leone-Bay、Duncan R. Paton、John Freeman、Christine Lercara、Doris O'Toole、David Gschneidner、Eric Wang、Elizabeth Harris、Connie Rosado、Theresa Rivera、Aldonna DeVincent、Monica Tai、Frank Mercogliano、Rajesh Agarwal、Harry Leipold、Robert A. Baughman

  DOI：10.1021/jm970811m

  日期：1998.3.1

  A family of novel compounds (delivery agents) that promote the gastrointestinal absorption of USP heparin in rats and primates has been discovered. The delivery agents in combination with heparin were administered either orally or intracolonically in an aqueous propylene glycol solution and caused dramatic increases in both plasma heparin concentrations (anti-Factor Xa) and clotting times (APTT). Using one of the most effective delivery agents in this series, an estimated relative bioavailability of 8% can be achieved following oral administration to cynomolgus monkeys. To establish a correlation between the in vivo data and an in vitro parameter, immobilized artificial membrane (IAM) chromatography was performed. Log relative k' values were correlated to the efficiency of oral heparin delivery.
• A HIGHLY PRACTICAL ROUTE TO 2-METHYLCHROMONES FROM 2-ACETOXYBENZOIC ACIDS
  作者：Jae-Chul Jung、Jong-Pil Min、Oee-Sook Park

  DOI：10.1081/scc-100104333

  日期：2001.1

  2-Methylchromones were accessed via a keto ester condensation on 2-acetoxybenzoyl chloride, followed by cyclization and decarboxylation. No column chromatography was required in the process.
• Covello; Piscopo, Gazzetta Chimica Italiana, 1958, vol. 88, p. 101,108
  作者：Covello、Piscopo

  DOI：——

  日期：——