1-hydroxy-3-<(methoxycarbonyl)oxy>naphthalene | 158905-49-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-hydroxy-3-<(methoxycarbonyl)oxy>naphthalene
• 英文别名: carbonic acid 4-hydroxy-naphthalen-2-yl ester methyl ester；(4-hydroxynaphthalen-2-yl) methyl carbonate
• CAS: 158905-49-8
• 化学式: C₁₂H₁₀O₄
• 分子量: 218.209
• InChiKey: WYNRDIZMGBMWNK-UHFFFAOYSA-N

物化性质

• 沸点：
  405.4±37.0 °C(Predicted)
• 密度：
  1.314±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-hydroxy-3-<(methoxycarbonyl)oxy>naphthalene 在 盐酸 、 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 96.0h， 生成 (3-羟基萘-1-基)N-甲基氨基甲酸酯
  参考文献：
  名称：

  Synthesis of 3-Hydroxy-1-[(methylcarbamoyl)oxy]naphthalene

  摘要：

  The synthesis of 3-hydroxy-1-[(methylcarbamoyl)oxy]naphthalene, a suspected metabolite of the insecticide Sevin, is reported.

  DOI：

  10.1021/jf00048a061
• 作为产物：
  描述：

  1,3-bis<(methoxycarbonyl)oxy>naphthalene 在 异丙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以29.6%的产率得到1-hydroxy-3-<(methoxycarbonyl)oxy>naphthalene
  参考文献：
  名称：

  Synthesis of 3-Hydroxy-1-[(methylcarbamoyl)oxy]naphthalene

  摘要：

  The synthesis of 3-hydroxy-1-[(methylcarbamoyl)oxy]naphthalene, a suspected metabolite of the insecticide Sevin, is reported.

  DOI：

  10.1021/jf00048a061

文献信息

• Benzannelated derivatives, their manufacture and use as pharmaceutical agents
  申请人：Ackermann Jean

  公开号：US20050096336A1

  公开（公告）日：2005-05-05

  There are presented compounds of the formula wherein R 6 and R 7 is R 4 and R 5 or R 5 and R 6 together with the carbon atoms to which they are attached, form a ring as defined in the description and X 1 , X 2 , Y 1 to Y 4 , R 1 to R 13 and n are as specified in the description, and to all enantiomers and pharmaceutically acceptable salts and/or esters thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are modulated by PPARδ and/or PPARα agonists.

  提供了式中的化合物，其中R6和R7是R4和R5或R5和R6连同它们所连接的碳原子形成一个如描述中定义的环，并且X1、X2、Y1至Y4、R1至R13和n如描述中所指定的，并且包括所有的对映体和药用可接受的盐和/或酯。本发明还涉及含有这类化合物的药物组合物，以及用于治疗和/或预防由PPARδ和/或PPARα激动剂调节的疾病的方法。
• McIntyre Donald G., Lopes Anibal, Miles Kimberly R., J. Agr. and Food Chem, 42 (1994) N 12, S 2970-2972
  作者：McIntyre Donald G., Lopes Anibal, Miles Kimberly R.

  DOI：——

  日期：——
• BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1682507A1

  公开（公告）日：2006-07-26
• US7495001B2
  申请人：——

  公开号：US7495001B2

  公开（公告）日：2009-02-24
• [EN] BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS<br/>[FR] COMPOSES A CYCLE BENZENIQUE CONSTITUANT DES ACTIVATEURS DE PPAR
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005049572A1

  公开（公告）日：2005-06-02

  This invention relates to compounds of the formula (I) wherein R6 and R7 is formula (II) R4 and R5 or R5 and R6 together with the carbon atoms to which they are attached, form a ring as defined in the description and X1, X2, Y1 to Y4, R1 to R13 and n are as specified in the description, and to all enantiomers and pharmaceutically acceptable salts and/or esters thereof. The invention further relates to pharmaceutical compositions containing such compounds, to a process for their preparation and to their use for the treatment and/or prevention of diseases which are modulated by PPARδ and/or- PPARα agonists.