2-acetoxy-5-bromobenzoic acid methyl ester | 76478-30-3

• 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-bromobenzoic acid methyl ester
• 英文别名: Methyl 5-bromocetylsalicylate；2-acetoxy-5-bromo-benzoic acid methyl ester；2-Acetoxy-5-brom-benzoesaeure-methylester；methyl 2-acetoxy-5-bromobenzoate；Methyl-2-acetoxy-5-brom-benzoat；methyl 2-acetyloxy-5-bromobenzoate
• CAS: 76478-30-3
• 化学式: C₁₀H₉BrO₄
• 分子量: 273.083
• InChiKey: KXPPKKXYTWNOPF-UHFFFAOYSA-N

物化性质

• 熔点：
  33-35 °C
• 沸点：
  303.5±27.0 °C(Predicted)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-acetoxy-5-bromobenzoic acid methyl ester 在 sodium 、 paraffin oil 作用下， 生成 6-bromo-chroman-2,4-dione
  参考文献：
  名称：

  Zur Chemie des 4-Oxy-cumarins

  摘要：

  DOI：

  10.1007/bf00903639
• 作为产物：
  描述：

  5-溴水杨酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 反应 80.0h， 生成 2-acetoxy-5-bromobenzoic acid methyl ester
  参考文献：
  名称：

  Synthesis of fluorovinylsalicylic acids and their derivatives

  摘要：

  Palladium-catalyzed cross-coupling of iodosalicylic acid derivatives with polfluorovinyl zinc reagents provided the corresponding fluorovinyl-substituted salicylates. Methyl-5-(beta,beta)-difluorovinyl methyl salicylate was prepared by a Wittig reaction of the 5-formyl compound with the strongly nucleophilic ylide, [(Et(2)N)(3)P-CF2]. In one sequence, a fluorine-free benzofuran was obtained, instead of a difluorovinyl-salicylate.

  DOI：

  10.1016/0022-1139(95)03255-c

文献信息

• Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases
  申请人：Wong C.W. Norman

  公开号：US20060205792A1

  公开（公告）日：2006-09-14

  The present disclosure provides non-naturally occurring polyphenol compounds that upregulate the expression of Apolipoprotein A-I (ApoA-I). The disclosed compositions and methods can be used for treatment and prevention of cardiovascular disease and related disease states, including cholesterol or lipid related disorders, such as, e.g., atherosclerosis.

  本公开提供了一些非天然的多酚化合物，这些化合物可以上调载脂蛋白A-I（ApoA-I）的表达。所述的组合物和方法可用于治疗和预防心血管疾病及相关疾病状态，包括胆固醇或脂质相关紊乱，例如动脉粥样硬化。
• Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases
  申请人：Wong Norman C.W.

  公开号：US20110082176A1

  公开（公告）日：2011-04-07

  The present disclosure provides non-naturally occurring polyphenol compounds that upregulate the expression of Apolipoprotein A-I (ApoA-I). The disclosed compositions and methods can be used for treatment and prevention of cardiovascular disease and related disease states, including cholesterol or lipid related disorders, such as, e.g., atherosclerosis.

  本公开提供非自然产生的多酚化合物，可以上调载脂蛋白A-I（ApoA-I）的表达。所披露的组合物和方法可用于治疗和预防心血管疾病和相关疾病状态，包括胆固醇或脂质相关的疾病，例如动脉粥样硬化。
• WO2006/45010
  申请人：——

  公开号：——

  公开（公告）日：——
• Stilbene analogs as inducers of apolipoprotein-I transcription
  作者：Henrik C. Hansen、Fabrizio S. Chiacchia、Reena Patel、Norman C.W. Wong、Vladimir Khlebnikov、Renata Jankowska、Kalpesh Patel、M. Madhava Reddy

  DOI：10.1016/j.ejmech.2009.12.076

  日期：2010.5

  Based on the naturally occurring stilbene, Resveratrol, a series of novel stilbene derivatives were synthesized, which have the ability to induce the expression of the ApoA-I gene. Several compounds equally or more potent than Resveratrol were identified. trans-4,4'-Dihydroxy-2-methoxystilbene was the most potent (4.6x more potent than Resveratrol). These compounds provide an early lead into new drugs to treat atherosclerosis. (C) 2010 Elsevier Masson SAS. All rights reserved.
• Brominated 4-Hydroxycoumarins
  作者：Charles F. Huebner、Karl Paul Link

  DOI：10.1021/ja01232a507

  日期：1944.4