2-(4-溴苄基)苯酚 | 857854-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-溴苄基)苯酚
• 英文名称: 2-(4-bromobenzyl)phenol
• 英文别名: 2-Hydroxy-1-(4-brom-benzyl)-benzol；2-(4-Brom-benzyl)-phenol；2-[(4-Bromophenyl)methyl]phenol
• CAS: 857854-96-7
• 化学式: C₁₃H₁₁BrO
• 分子量: 263.134
• InChiKey: WHQXSOCQRURYAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  72-73 °C
• 沸点：
  365.6±22.0 °C(Predicted)
• 密度：
  1.434±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-溴苄基)苯酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：
• 作为产物：
  描述：

  (2-Benzyloxyphenyl)-(4-bromophenyl)-methanol 在 三乙基硅烷 、 二甲基硫 、 三氟化硼乙醚 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 19.5h， 生成 2-(4-溴苄基)苯酚
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：

文献信息

• Metal-Free C–O Bond Functionalization: Catalytic Intramolecular and Intermolecular Benzylation of Arenes
  作者：Luis Bering、Kirujan Jeyakumar、Andrey P. Antonchick

  DOI：10.1021/acs.orglett.8b01495

  日期：2018.7.6

  conditions enabled a catalytic and metal-free Friedel–Crafts alkylation reaction with benzylic alcohols, producing water as the stoichiometric byproduct. A comprehensive scope (>50 examples) for both approaches and application in drug synthesis were demonstrated. Mechanistic studies suggest a Lewis acid-based mechanism for the metal-free Friedel–Crafts reaction.

  描述了使用硝鎓盐作为催化剂的苄基苯基醚的无金属催化的分子内重排。优化的反应条件使苄基醇能够进行无金属催化的Friedel-Crafts烷基化反应，从而产生水作为化学计量副产物。展示了方法和在药物合成中的应用的综合范围（> 50个示例）。机理研究表明，路易斯酸基机理可用于无金属的Friedel-Crafts反应。
• Developing benign syntheses using ion pairs <i>via</i> solvent-free mechanochemistry
  作者：Lianna N. Ortiz-Trankina、Jazmine Crain、Carl Williams、James Mack

  DOI：10.1039/d0gc01116a

  日期：——

  significance of ion pairing and the use of weak bases for driving forward nucleophilic substitution reactions. This approach takes advantage of the lack of solvent shells to incorporate weaker and safer bases to drive reactions to completion through specific ion pairing pathways. The most efficient reactions contained larger and more polarizable cation and anion pairs.

  已开发出无溶剂的机械化学条件，以研究离子对的重要性以及弱碱在推动正向亲核取代反应中的应用。这种方法利用了缺少溶剂外壳的优势，可以结合使用较弱和更安全的碱，从而通过特定的离子对途径推动反应完成。最有效的反应包含更大，更可极化的阳离子和阴离子对。
• Glucopyranosyloxy-substituted aromatic compounds, medicaments containing such compounds, their use and process for their manufacture
  申请人：Eickelmann Peter

  公开号：US20050187168A1

  公开（公告）日：2005-08-25

  The present invention relates to glucopyranosyloxy-substituted aromatic groups of general formula wherein R 1 to R 6 and R 7a , R 7b , R 7c are defined as in claim 1, the tautomers, the stereoisomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids, which have valuable pharmacological properties, particularly an inhibitory effect on the sodium-dependent glucose cotransporter SGLT2, the use thereof for the treatment of diseases, particularly metabolic disorders such as diabetes, and the preparation thereof.

  本发明涉及一般式为的葡萄糖吡喃基取代芳基，其中R1至R6和R7a，R7b，R7c的定义如权利要求1中所述，其互变异构体，立体异构体，混合物及其盐，特别是与无机或有机酸的生理上可接受的盐，具有有价值的药理学特性，特别是对钠依赖性葡萄糖协同转运体SGLT2的抑制作用，用于治疗疾病，特别是代谢紊乱如糖尿病，以及其制备方法。
• Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes
  申请人：Matsuoka Hiroharu

  公开号：US20080318874A1

  公开（公告）日：2008-12-25

  A cyclohexane derivative having the function of reducing a blood sugar level and having preferable properties required of medicines, such as long-lasting drug activity, metabolic stability, and safety; and a medicinal composition for use in the prevention or treatment of diseases attributable to hyperglycemia, such as diabetes, e.g., insulin dependent diabetes mellitus (type 1 diabetes) or noninsulin-dependent diabetes mellitus (type 2 diabetes), complications of diabetes, and obesity. The derivative is a compound represented by the formula (I): (wherein A is —O—, —CH 2 —, or —NH—; n is an integer selected between 0 and 1; R 6 and R 7 each independently is hydrogen or C 1-6 alkyl; m is an integer selected among 1-3; Q is selected among the following formulae Q 1 to Q 5 ; Ar 1 is optionally substituted arylene or optionally substituted heteroarylene, provided that the heteroarylene may be bonded to an aromatic carbocycle or aromatic heterocycle to form a fused ring; and Ar 2 is optionally substituted aryl or optionally substituted heteroaryl), a prodrug of the compound, or a pharmaceutically acceptable salt of either. Also provided are a medicine, a medicinal composition, or the like each containing the compound.

  一种环己烷衍生物，具有降低血糖水平的功能，并具有药物所需的优良特性，如持久的药物活性、代谢稳定性和安全性；以及用于预防或治疗与高血糖相关的疾病，如糖尿病，例如胰岛素依赖性糖尿病（1型糖尿病）或非胰岛素依赖性糖尿病（2型糖尿病），糖尿病并发症和肥胖症的药物组合物。该衍生物是由式（I）表示的化合物：（其中A是-O-、-CH2-或-NH-；n是在0和1之间选择的整数；R6和R7各自独立地是氢或C1-6烷基；m是在1-3之间选择的整数；Q在以下式Q1至Q5之间选择；Ar1是可选的取代芳基或可选的取代杂环芳基，但杂环芳基可以与芳香环或芳香杂环结合形成融合环；Ar2是可选的取代芳基或可选的取代杂环芳基），该化合物的前药物或任一药物学上可接受的盐。还提供了含有该化合物的药物、药物组合物等。
• NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1783110A1

  公开（公告）日：2007-05-09

  A cyclohexane derivative having the function of reducing a blood sugar level and having preferable properties required of medicines, such as long-lasting drug activity, metabolic stability, and safety; and a medicinal composition for use in the prevention or treatment of diseases attributable to hyperglycemia, such as diabetes, e.g., insulin dependent diabetes mellitus (type 1 diabetes) or noninsulin-dependent diabetes mellitus (type 2 diabetes), complications of diabetes, and obesity. The derivative is a compound represented by the formula (I): (wherein A is -O-, -CH2-, or -NH-; n is an integer selected between 0 and 1; R6 and R7 each independently is hydrogen or C1-6 alkyl; m is an integer selected among 1-3; Q is selected among the following formulae Q1 to Q5; Ar1 is optionally substituted arylene or optionally substituted heteroarylene, provided that the heteroarylene may be bonded to an aromatic carbocycle or aromatic heterocycle to form a fused ring; and Ar2 is optionally substituted aryl or optionally substituted heteroaryl), a prodrug of the compound, or a pharmaceutically acceptable salt of either. Also provided are a medicine, a medicinal composition, or the like each containing the compound.

  一种环己烷衍生物，具有降低血糖水平的功能，并具有药物所需的优越性能，如持久的药物活性、代谢稳定性和安全性；以及一种药物组合物，用于预防或治疗由高血糖引起的疾病，如糖尿病，如胰岛素依赖型糖尿病（1型糖尿病）或非胰岛素依赖型糖尿病（2型糖尿病）、糖尿病并发症和肥胖症。衍生物是由式（I）代表的化合物： (其中 A 是-O-、-CH2-或-NH-；n 是选自 0 和 1 之间的整数；R6 和 R7 各自独立地是氢或 C1-6 烷基；m 是选自 1-3 之间的整数；Q 是选自下式 Q1 至 Q5 之间的整数； Ar1是任选取代的芳基或任选取代的杂芳基，条件是杂芳基可以键合到芳香族碳环或芳香族杂环上以形成融合环；以及Ar2是任选取代的芳基或任选取代的杂芳基）、该化合物的原药或二者的药学上可接受的盐。还提供了含有该化合物的药物、药物组合物或类似物。