Oxalic acid, isobutyl pentyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Oxalic acid, isobutyl pentyl ester
• 英文别名: 2-O-(2-methylpropyl) 1-O-pentyl oxalate
• 化学式: C₁₁H₂₀O₄
• 分子量: 216.27
• InChiKey: LDNMUCYNVULZDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Heterocyclo-substituted imidazoles for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US20030036557A1

  公开（公告）日：2003-02-20

  A class of imidazolyl compounds is described for use in treating inflammation. Compounds of particular interest are defined by Formula V: 1 wherein R 3 is a radical selected from hydrido, alkyl, haloalkyl, aralkyl, heterocycloalkyl, heteroaralkyl, acyl, cyano, alkoxy, alkylthio, alkylthioalkyl, alkylsulfonyl, cycloalkylthio, cycloalkylthioalkyl, cycloalkylsulfonyl, cycloalkylsulfonylalkyl, haloalkylsulfonyl, arylsulfonyl, halo, hydroxyalkyl, alkoxyalkyl, alkylcarbonyl, arylcarbonyl, aralkylcarbonyl, heterocyclocarbonyl, cyanoalkyl, aminoalkyl, alkylaminoalkyl, N-arylaminoalkyl, N-alkyl-N-arylaminoalkyl, carboxyalkyl, alkoxycarbonylalkyl, alkoxycarbonyl, haloalkylcarbonyl, carboxyl, aminocarbonyl, alkylaminocarbonyl, alkylaminocarbonylalkyl, heteroarylalkoxyalkyl, heteroaryloxyalkyl, heteroarylthioalkyl, aralkoxy, aralkylthio, heteroaralkoxy, heteroaralkylthio, heteroarylalkylthioalkyl, heteroaryloxy, heteroarylthio, arylthioalkyl, aryloxyalkyl, arylthio, aryloxy, aralkylthioalkyl, aralkoxyalkyl, aryl and heteroaryl; wherein R 4 is a radical selected from hydrido, alkyl and halo; and wherein R 13 and R 14 are independently selected from aryl and heterocyclo, wherein R 13 and R 14 are optionally substituted at a substitutable position with one or more radicals independently selected from alkylsulfonyl, aminosulfonyl, halo, alkylthio, alkyl, cyano, carboxyl, alkoxycarbonyl, haloalkyl, hydroxyl, alkoxy, hydroxyalkyl, alkoxyalkyl, haloalkoxy, amino, alkylamino, arylamino and nitro; provided at least one of R 13 and R 14 is aryl substituted with alkylsulfonyl or aminosulfonyl; or a pharmaceutically-acceptable salt thereof.

  描述了一类咪唑基化合物，用于治疗炎症。特别感兴趣的化合物由公式V:1定义，其中R3是从氢基，烷基，卤代烷基，芳基烷基，杂环烷基，杂芳烷基，酰基，氰基，烷氧基，烷硫基，烷硫基烷基，烷基磺酰基，环烷硫基，环烷硫基烷基，环烷磺酰基，环烷磺酰基烷基，卤代烷基磺酰基，芳基磺酰基，卤素，羟基烷基，烷氧基烷基，烷基羰基，芳基羰基，芳基烷基羰基，杂环羰基，氰基烷基，氨基烷基，烷基氨基芳基，N-烷基-N-芳基氨基烷基，羧基烷基，烷氧基羧酰基烷基，烷氧基羧酰基，卤代烷基羧酰基，羧基，氨基羧酰基，烷基氨基羧酰基，杂芳基氧基烷基，杂芳氧基烷基，杂芳硫基烷基，芳氧基烷基，芳硫基，芳氧基，芳基烷硫基烷基，芳基烷氧基烷基，芳基烷硫基，杂芳基氧基烷基，杂芳基硫基，杂芳硫基烷基，芳硫基烷基，芳氧基烷基，芳硫基，芳氧基，芳基烷硫基烷基，芳基烷氧基烷基，芳基磺酰基烷基，芳基氧基磺酰基烷基，芳基硫基磺酰基烷基，芳基硫基烷氧基烷基，芳基和杂芳基中选择的基团；其中R4是从氢基，烷基和卤素中选择的基团；R13和R14分别选择自芳基和杂环芳基，其中R13和R14在可取代位置上可选择一个或多个基团，独立地选择自烷基磺酰基，氨基磺酰基，卤素，烷硫基，烷基，氰基，羧基，烷氧基羧酰基，卤代烷基，羟基，烷氧基，羟基烷基，烷氧基烷基，卤代烷氧基，氨基，烷基氨基，芳基氨基和硝基中的一个或多个基团；提供至少一个R13和R14是被烷基磺酰基或氨基磺酰基取代的芳基；或其药学上可接受的盐。
• Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives
  申请人：——

  公开号：US20020034527A1

  公开（公告）日：2002-03-21

  Use of ascorbic acid derivatives of the formula I 1 where the variables independently of one another have the following meanings: R 1 is hydrogen, C 1 -C 20 -acyl, C 1 -C 12 -alkoxycarbonyl, C 1 -C 12 -alkyl, R 2 is hydrogen, C 1 -C 20 -acyl, C 1 -C 12 -alkoxycarbonyl, C 1 -C 12 -alkyl, where R 1 and R 2 , together with the oxygen atoms to which they are bonded and the carbon atoms bonded to the oxygen atoms, can form an unsubstituted or substituted heterocycle, R 3 is hydrogen or a cation selected from the group consisting of NH 4 + , alkali metal and alkaline earth metal cations, R 4 is C 1 -C 12 -alkoxycarbonyl, for cosmetic and pharmaceutical preparations is described.

  使用式 I 的抗坏血酸衍生物 1 式中互不相关的变量具有如下含义： R 1 是氢、C 1 -C 20 -酰基，C 1 -C 12 -烷氧羰基、C 1 -C 12 -烷基、 R 2 是氢、C 1 -C 20 -酰基，C 1 -C 12 -烷氧羰基、C 1 -C 12 -烷基、 其中 R 1 和 R 2 与它们所结合的氧原子以及与氧原子结合的碳原子可形成未取代或取代的杂环、 R 3 是氢或选自 NH 4 和加 、碱金属和碱土金属阳离子、 R 4 是 C 1 -C 12 -烷氧基羰基、 描述了一种用于化妆品和药物制剂的烷氧基羰基化合物。
• US7102019B2
  申请人：——

  公开号：US7102019B2

  公开（公告）日：2006-09-05