4-bromo-2-isopropylphenyl acetate | 749929-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-bromo-2-isopropylphenyl acetate
• 英文别名: Acetic acid 4-bromo-2-isopropyl-phenyl ester；(4-bromo-2-propan-2-ylphenyl) acetate
• CAS: 749929-08-6
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: QVWPHWYHKQFBOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  4-bromo-2-isopropylphenyl acetate 在 四(三苯基膦)钯 、 aluminum isopropoxide 、 三乙胺 、 间氯过氧苯甲酸 、 cesium fluoride 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 8.67h， 生成 4-(2-(5-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)ethyl)-2-isopropylphenol
  参考文献：
  名称：

  Concise total synthesis of (±)-pisiferin

  摘要：

  A concise total synthesis of (+/-)-pisiferin has been accomplished from commercially available compounds alpha-cydocitral (9) and 4-bromo-2-isopropylphenol (10) via Suzuki coupling and F-C alkylation as key reaction in five steps with an overall yield of 22%. The feature of this concise synthesis is a convergent strategy coupled by Suzuki reaction. This work not only provides a strategy to approach the total synthesis of pisiferin itself but also serves as an additional correlation origin to which many related icetaxane-type diterpenes can be referred. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.10.032
• 作为产物：
  描述：

  4-溴-2-异丙基苯酚 、 乙酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以87%的产率得到4-bromo-2-isopropylphenyl acetate
  参考文献：
  名称：

  Concise total synthesis of (±)-pisiferin

  摘要：

  A concise total synthesis of (+/-)-pisiferin has been accomplished from commercially available compounds alpha-cydocitral (9) and 4-bromo-2-isopropylphenol (10) via Suzuki coupling and F-C alkylation as key reaction in five steps with an overall yield of 22%. The feature of this concise synthesis is a convergent strategy coupled by Suzuki reaction. This work not only provides a strategy to approach the total synthesis of pisiferin itself but also serves as an additional correlation origin to which many related icetaxane-type diterpenes can be referred. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.10.032

文献信息

• Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same
  申请人：Borchardt Allen

  公开号：US20050176701A1

  公开（公告）日：2005-08-11

  The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R 1 and R 2 , are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  这项发明涉及公式1的化合物，以及其药学上可接受的盐、溶剂化合物、前药和代谢物，其中W、Z、R1和R2如本文所定义。该发明还涉及通过给哺乳动物施用公式1的化合物来治疗丙型肝炎病毒的方法，以及用于治疗这类疾病的含有公式1化合物的药物组合物。该发明还涉及制备公式1化合物的方法。
• INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME
  申请人：Borchardt Allen

  公开号：US20060189681A1

  公开（公告）日：2006-08-24

  The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R 1 and R 2 , are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

  本发明涉及式1的化合物以及其药学上可接受的盐、溶剂合物、前药和代谢物，其中W、Z、R1和R2如本文所定义。本发明还涉及通过给哺乳动物投予式1的化合物来治疗丙型肝炎病毒的方法，以及包含式1的化合物的用于治疗此类疾病的制药组合物。本发明还涉及制备式1的化合物的方法。
• US7148226B2
  申请人：——

  公开号：US7148226B2

  公开（公告）日：2006-12-12
• US7473790B2
  申请人：——

  公开号：US7473790B2

  公开（公告）日：2009-01-06
• [EN] INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME<br/>[FR] INHIBITEURS DE L'ARN POLYMERASE ARN-DEPENDANTE DU VIRUS DE L'HEPATITE C, ET COMPOSITIONS ET TRAITEMENTS FAISANT APPEL A CET INHIBITEUR
  申请人：PFIZER

  公开号：WO2004074270A2

  公开（公告）日：2004-09-02

  The invention relates to compounds of the formula (I) and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R1 and R2, are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula (I), and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula (I). The invention also relates to methods of preparing the compounds of formula (I).