2-苄氧基-5-羟基苯甲醛 | 161192-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-苄氧基-5-羟基苯甲醛
• 英文名称: 2-benzyloxy-5-hydroxybenzaldehyde
• 英文别名: 2-(Benzyloxy)-5-hydroxybenzaldehyde；5-hydroxy-2-phenylmethoxybenzaldehyde
• CAS: 161192-21-8
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: CRUNCTWMFHQFTC-UHFFFAOYSA-N

物化性质

• 沸点：
  420.2±30.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2912499000

反应信息

• 作为反应物：
  描述：

  2-苄氧基-5-羟基苯甲醛 在 copper(I) bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 2-(Benzyloxy)-4-hydroxybenzaldehyde
  参考文献：
  名称：

  Unexpected copper mediated benzyl O→O migration during an Ullmann ether coupling

  摘要：

  The synthesis of a highly functionalized phenolic diaryl ether 5,5'-oxybis(4-hydroxy-3-methoxybenzaldehyde) (1) potentially interesting as a new scaffold for drug design, has been carried out using Ullmann coupling conditions. An unusual benzyl migration in o-benzyloxyphenol moiety occurred during this reaction leading to an unexpected compound identified as 4-(benzyloxy)-3-(2-(benzyloxy)-4-formy1-6-methoxyphenoxy)-5-methoxy benzaldehyde (7). A rationale for this migration process is proposed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.089
• 作为产物：
  描述：

  2,5-二羟基苯甲醛 、 溴甲苯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67 %的产率得到2-苄氧基-5-羟基苯甲醛
  参考文献：
  名称：

  具有固定手性和两个不同侧面的离散大环：偶极子相关的手性响应

  摘要：

  边缘分化的圆柱形大环的使用使得能够合成一系列具有各种偶极结构的手性C 5对称分子。通过手性光谱对其对映体的分析表明，偶极电子分布导致圆二色性 (CD) 和圆偏振发光 (CPL) 响应中的弱不对称性，从而证明了减少大环不对称性的重要性。

  DOI：

  10.1002/anie.202209222

文献信息

• Inhibitors of prenyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06562823B1

  公开（公告）日：2003-05-13

  The present invention is directed to peptidomimetic piperazine-containing macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及一种含有肽类似物哌嗪的大环化合物，该化合物能抑制异戊二烯-蛋白转移酶以及致癌基因蛋白Ras的异戊二烯化作用。该发明还涉及含有本发明化合物的化疗组合物以及抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的方法。
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2000001702A1

  公开（公告）日：2000-01-13

  The present invention is directed to peptidomimetic piperazine-containing macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及一种肽类似物哌嗪含有大环化合物，其抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的异戊二烯化。本发明还涉及包含本发明化合物的化疗组合物以及抑制异戊二烯-蛋白转移酶和致癌基因蛋白Ras的方法。
• Alkanoic acid derivatives process for their production and use thereof
  申请人：——

  公开号：US20040058965A1

  公开（公告）日：2004-03-25

  An alkanoic acid derivative useful as a prophylactic or therapeutic agent of diabetes mellitus, hyperlipidemia, impaired glucose tolerance and the like can be provided by a compound represented by the formula 1 wherein R 1 is an optionally substituted 5-membered aromatic heterocyclic group; X is a bond and the like; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; Y is a bond and the like, ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is —(CH 2 ) n —Z 1 — (n is an integer of 1 to 8 and Z 1 is an oxygen atom and the like) and the like; ring B is a pyridine ring optionally further having 1 to 3 substituents, and the like; U is a bond and the like; W is a divalent hydrocarbon group having 1 to 20 carbon atoms; and R 3 is —OH and the like, provided that, when ring B is a benzene ring optionally further having 1 to 3 substituents, U should be a bond, or a salt thereof.

  一种可以用作糖尿病、高脂血症、糖耐量受损等预防或治疗剂的脂肪酸衍生物可以由以下式1所表示的化合物提供，其中R1是可选取代的5-成员芳香杂环基；X是键等；Q是具有1到20个碳原子的二价碳氢基团；Y是键等；环A是一种芳香环，可选择进一步具有1到3个取代基；Z是—（CH2）n—Z1—（n是1到8的整数，Z1是氧原子等）等；环B是吡啶环，可选择进一步具有1到3个取代基等；U是键等；W是具有1到20个碳原子的二价碳氢基团；R3是—OH等；但是，当环B是苯环，可选择进一步具有1到3个取代基时，U应为键，或其盐。
• Heterocyclic compounds for treating hepatitis C virus
  申请人：Vourloumis Dionisios

  公开号：US20050075375A1

  公开（公告）日：2005-04-07

  The invention is directed to heterocyclic compounds and pharmaceutical compositions of the same for treating Hepatitis C virus.

  这项发明涉及杂环化合物和其制备的药物组合物，用于治疗丙型肝炎病毒。
• [EN] MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MCL1 MACROCYCLIQUES ET UTILISATIONS
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2022216945A1

  公开（公告）日：2022-10-13

  The present disclosure provides compounds, such as compounds of Formula III, and compositions that are MCL1 inhibitors.

  本公开提供了化合物，例如化合物III式的化合物和是MCL1抑制剂的组合物。