3-bromo-4-hydroxyphenyl acetate | 150900-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-bromo-4-hydroxyphenyl acetate
• 英文别名: 4-Acetoxybromophenol；(3-bromo-4-hydroxyphenyl) acetate
• CAS: 150900-91-7
• 化学式: C₈H₇BrO₃
• 分子量: 231.046
• InChiKey: ICDSCYXTYJSVTP-UHFFFAOYSA-N

物化性质

• 沸点：
  290.8±30.0 °C(Predicted)
• 密度：
  1.630±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-bromo-4-hydroxyphenyl acetate 在 氢氧化钾 、 三氟甲磺酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.25h， 生成 3-Bromo-4-(tert-butoxy)phenol
  参考文献：
  名称：

  Avoiding the classical resolution during the synthesis of MeO-BIPHEP and 3,3′-disubstituted derivatives

  摘要：

  The Ullmann coupling of 1 (R = H) gives a 2:1 mixture of diastereomers 2 (R = H) in 81% yield that are easily separated by silica gel chromatography. This procedure avoids the generally cumbersome and sometimes difficult resolution step with DBTA. Similar Ullmann couplings and separation of the corresponding diastereomers are employed with other derivatives of I (R = OtBu, iPr, Ph, and mesityl) ultimately affording a new series of 3,3'-disubsituted-MeO-BIPHEP derivatives. The use of these new derivatives in palladium-catalyzed asymmetric Heck reaction, Pd-catalyzed polyene cyclizations and rhodium-catalyzed hydrogenations is also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.183
• 作为产物：
  描述：

  乙酸酐 、 对苯二酚 在 溶剂黄146 、 溴 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以50%的产率得到3-bromo-4-hydroxyphenyl acetate
  参考文献：
  名称：

  Avoiding the classical resolution during the synthesis of MeO-BIPHEP and 3,3′-disubstituted derivatives

  摘要：

  The Ullmann coupling of 1 (R = H) gives a 2:1 mixture of diastereomers 2 (R = H) in 81% yield that are easily separated by silica gel chromatography. This procedure avoids the generally cumbersome and sometimes difficult resolution step with DBTA. Similar Ullmann couplings and separation of the corresponding diastereomers are employed with other derivatives of I (R = OtBu, iPr, Ph, and mesityl) ultimately affording a new series of 3,3'-disubsituted-MeO-BIPHEP derivatives. The use of these new derivatives in palladium-catalyzed asymmetric Heck reaction, Pd-catalyzed polyene cyclizations and rhodium-catalyzed hydrogenations is also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.183

文献信息

• 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs
  申请人：DeAngelis Alan

  公开号：US20060058393A1

  公开（公告）日：2006-03-16

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR modulators to treat or inhibit the progression of, for example, dyslipidemia.

  这项发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物，含有它们的组合物，以及将它们用作PPAR调节剂来治疗或抑制例如脂质代谢异常的进展的方法。
• [EN] 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS<br/>[FR] ACIDES 4-((PHENOXYALKYL)THIO)-PHENOXYACETIQUES ET ANALOGUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005030694A1

  公开（公告）日：2005-04-07

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR delta modulators to treat or inhibit the progression of, for example, dyslipidemia.

  这项发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物，含有它们的组合物，以及将它们用作PPAR δ调节剂来治疗或抑制例如脂质代谢异常的进展的方法。
• [EN] HYDANTOIN DERIVATES AS KV3 INHIBITORS<br/>[FR] DÉRIVÉS D'HYDANTOÏNE EN TANT QU'INHIBITEURS DE KV3
  申请人：AUTIFONY THERAPEUTICS LTD

  公开号：WO2012168710A1

  公开（公告）日：2012-12-13

  The invention provides compounds of formula (I): Said compounds being inhibitors of Kv3 channels and of use in the prophylaxis or treatment of related disorders.

  该发明提供了化合物的结构式(I)：所述化合物是Kv3通道的抑制剂，可用于预防或治疗相关疾病。
• HYDANTOIN DERIVATIVES AS KV3 INHIBITORS
  申请人：AUTIFONY THERAPEUTICS LIMITED

  公开号：US20140107139A1

  公开（公告）日：2014-04-17

  The invention provides compounds of formula (I): Said compounds being inhibitors of Kv3 channels and of use in the prophylaxis or treatment of related disorders.

  该发明提供了化合物的公式(I)：所述化合物是Kv3通道的抑制剂，可用于预防或治疗相关疾病。
• 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS
  申请人：Janssen Pharmaceutica NV

  公开号：US20160199342A1

  公开（公告）日：2016-07-14

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR delta modulators to treat or inhibit the progression of, for example, dyslipidemia.

  这项发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物、包含它们的组合物，以及使用它们作为PPARδ调节剂的方法，用于治疗或抑制例如脂质代谢异常等疾病的进展。