2-(4-乙酰氧基苯基)乙基溴 | 299217-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 2-(4-乙酰氧基苯基)乙基溴
• 英文名称: 2-(4-acetoxyphenyl)ethyl bromide
• 英文别名: 4-(2-bromoethyl)phenyl acetate；p-Acetyl-phenethylbromid；[4-(2-bromoethyl)phenyl] acetate
• CAS: 299217-30-4
• 化学式: C₁₀H₁₁BrO₂
• 分子量: 243.1
• InChiKey: ZBBRPYPKXSYCAE-UHFFFAOYSA-N

物化性质

• 沸点：
  293.0±23.0 °C(Predicted)
• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-乙酰氧基苯基)乙基溴 在 氢氧化钾 、 四丁基碘化铵 、 potassium carbonate 、 三乙胺 、 三氟乙酸 、 mercury dichloride 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Dendroid Peptide Structural Mimetics of ω-Conotoxin MVIIA based on a 2(1H)-Quinolinone Core

  摘要：

  Three mimetics of the peptide omega-Conotoxin MVIIA have been synthesised following the dendroid approach. The three key central amino acids of the natural peptide are mimicked by phenylguanidine (arginine), isopentyl (leucine) and aryl alcohol (tyrosine) attached to a quinolinone core at the 1- and 8-positions. The derivatives are designed to position these key groups in similar spatial orientation to that of the natural peptide in a structure that will have limited conformational flexibility. Key steps of the syntheses involve selective N-alkylation of quinolinone derivatives and guanylation of aryl amines. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00179-4
• 作为产物：
  描述：

  对羟基苯乙醇 在 氢氧化钾 、 三溴化磷 作用下， 以 水 、 甲苯 为溶剂， 反应 2.25h， 生成 2-(4-乙酰氧基苯基)乙基溴
  参考文献：
  名称：

  Dendroid Peptide Structural Mimetics of ω-Conotoxin MVIIA based on a 2(1H)-Quinolinone Core

  摘要：

  Three mimetics of the peptide omega-Conotoxin MVIIA have been synthesised following the dendroid approach. The three key central amino acids of the natural peptide are mimicked by phenylguanidine (arginine), isopentyl (leucine) and aryl alcohol (tyrosine) attached to a quinolinone core at the 1- and 8-positions. The derivatives are designed to position these key groups in similar spatial orientation to that of the natural peptide in a structure that will have limited conformational flexibility. Key steps of the syntheses involve selective N-alkylation of quinolinone derivatives and guanylation of aryl amines. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00179-4

文献信息

• [EN] PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE CETP À BASE D'OXAZOLIDINONE
  申请人：MERCK SHARP & DOHME

  公开号：WO2010039474A1

  公开（公告）日：2010-04-08

  The compounds of Formula I are prodrugs of CETP inhibitors having a central oxazolidinone ring. The compounds cyclize by the elimination of HX to form an oxazolidinone ring after administration to a patient.

  公式I的化合物是CETP抑制剂的前药，具有中心噁唑烷酮环。这些化合物在给药后通过消除HX而环化，形成噁唑烷酮环。
• PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS
  申请人：Mills Sander G.

  公开号：US20110218177A1

  公开（公告）日：2011-09-08

  The compounds of Formula I are pro-drugs of CETP inhibitors having a central oxazolidinone ring. The compounds cyclize by the elimination of HX to form an oxazolidinone ring after administration to a patient.

  公式I的化合物是具有中心噁唑烷环的CETP抑制剂前药。这些化合物在给患者使用后通过HX的消除环化形成噁唑烷环。
• Prodrugs of oxazolidinone CETP inhibitors
  申请人：Mills Sander G.

  公开号：US08354454B2

  公开（公告）日：2013-01-15

  The compounds of Formula I are pro-drugs of CETP inhibitors having a central oxazolidinone ring. The compounds cyclize by the elimination of HX to form an oxazolidinone ring after administration to a patient.

  式I的化合物是具有中央噁唑烷环的CETP抑制剂的前药。这些化合物在给患者使用后通过消除HX环化形成噁唑烷环。
• 4-[2-(2-HYDROXY-2-PHENYLETHYLAMINO)ETHYL]PHENYLACETIC ACID AS BETA 3-ADRENOCEPTOR-AGONIST
  申请人：ZENECA LIMITED

  公开号：EP0591503A1

  公开（公告）日：1994-04-13
• MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS
  申请人：Newlaxant, L.L.C.

  公开号：EP1150673A1

  公开（公告）日：2001-11-07