(3,5-二羟基-4-甲氧基苯基)乙酸 | 34021-73-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: (3,5-二羟基-4-甲氧基苯基)乙酸
• 英文名称: (3,5-dihydroxy-4-methoxyphenyl)acetic acid
• 英文别名: 3,5-Dihydroxy-4-methoxy-phenylessigsaeure；2-(3,5-Dihydroxy-4-methoxyphenyl)acetic acid
• CAS: 34021-73-3
• 化学式: C₉H₁₀O₅
• 分子量: 198.175
• InChiKey: KNMIXZBQDPYJOZ-UHFFFAOYSA-N

物化性质

• 熔点：
  130 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• 沸点：
  449.1±40.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3,5-二羟基-4-甲氧基苯基)乙酸 、 甲醇 生成 methyl [3,5-bis(tert-butyldimethylsilyloxy)-4-methoxyphenyl]acetate
  参考文献：
  名称：

  WELLER, D. D.;STIRCHAK, E. P.;YOKOYAMA, AYUMU, J. ORG. CHEM., 1984, 49, N 11, 2061-2063

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲氧基苯乙酸 在 copper(II) sulfate sodium hydroxide 、 溴 、 iron(II) bromide 作用下， 以 氯仿 、 水 为溶剂， 反应 276.0h， 生成 (3,5-二羟基-4-甲氧基苯基)乙酸
  参考文献：
  名称：

  Preparation of oxygenated phenylacetic acids

  摘要：

  DOI：

  10.1021/jo00185a061

文献信息

• Preparation of amides from an acid and amine for intermediates in the synthesis of morphinans
  申请人：Mallinckrodt Inc.

  公开号：EP2177504A1

  公开（公告）日：2010-04-21

  The present invention is directed to processes for the synthesis of morphinans. In particular, a process for coupling a carboxylic acid compound with an amine compound to form an amide product that can then be isolated or the crude amide product can be cyclized to form a 3,4-dihydroisoquinoline. In one embodiment, the carboxylic acid contains a phenol moiety protected with a labile protecting group. The protected phenol reduces reaction times, simplifies work-up of the product, and reduces the amount of cyclizing agent, POCl3 that is necessary to form the 3,4-dihydroisoquinoline.

  本发明涉及吗啡类化合物的合成工艺。特别是一种将羧酸化合物与胺化合物偶联形成酰胺产物的工艺，该酰胺产物可以分离出来，或者将粗酰胺产物环化形成3,4-二氢异喹啉。在一个实施方案中，羧酸含有一个用易变保护基团保护的苯酚分子。受保护的苯酚可缩短反应时间，简化产品的加工，并减少形成 3,4-二氢异喹啉所需的环化剂 POCl3 的用量。
• Process for the preparation of 3,4-dihydroisoquinolines in the synthesis of morphinans
  申请人：Mallinckrodt Inc.

  公开号：EP2161253A2

  公开（公告）日：2010-03-10

  The present invention is directed to processes for the synthesis of morphinans. In particular, a process tor coupling a carboxylic acid compound with an amine compound to form an amide product that can then be isolated or the crude amide product can be cyclized to form a 3,4-dihydroisoquinoline. In one embodiment, the carboxylic acid contains a phenol moiety protected with a labile protecting group. The protected phenol reduces reaction times, simplifies work-up of the product, and reduces the amount of cyclizing agent, POCl3 that is necessary to form the 3,4-dihydroisoquinoline.

  本发明涉及吗啡类化合物的合成工艺。特别是一种将羧酸化合物与胺化合物偶联形成酰胺产物的工艺，这种酰胺产物可以分离出来，或者将粗酰胺产物环化形成 3,4-二氢异喹啉。在一个实施方案中，羧酸含有一个用易变保护基团保护的苯酚分子。受保护的苯酚可缩短反应时间，简化产品的加工，并减少形成 3,4-二氢异喹啉所需的环化剂 POCl3 的用量。
• Isolation of curvulic acid as an antimicrobial substance from Penicillium janthinellum C-268.
  作者：Yasukazu NAKAKITA、Shoji SHIMA、HEIICHI SAKAI

  DOI：10.1271/bbb1961.48.1899

  日期：——
• Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display
  申请人：NIPPON OIL COMPANY, LIMITED

  公开号：EP0758013B1

  公开（公告）日：2000-10-11
• Preparation of Amides from an Acid and Amine for Intermediates in the Synthesis of Morphinans
  申请人：GROTE Christopher W.

  公开号：US20090247760A1

  公开（公告）日：2009-10-01

  The present invention is directed to processes for the synthesis of morphinans. In particular, a process for coupling a carboxylic acid compound with an amine compound to form an amide product that can then be isolated or the crude amide product can be cyclized to form a 3,4-dihydroisoquinoline. In one embodiment, the carboxylic acid contains a phenol moiety protected with a labile protecting group. The protected phenol reduces reaction times, simplifies work-up of the product, and reduces the amount of cyclizing agent, POCl 3 that is necessary to form the 3,4-dihydroisoquinoline.