3-(4-辛氧基苯基)丙酸 | 79785-55-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(4-辛氧基苯基)丙酸
• 英文名称: 3-(4-n-octyloxyphenyl)propanoic acid
• 英文别名: 3-(4-Octyloxyphenyl)propionic acid；3-<4-Octyloxy-phenyl>-propionsaeure；β-(p-Octoxyphenyl)-propionsaeure；3-(4-Octyloxy-phenyl)-propionsaeure；3-(4-(Octyloxy)phenyl)propanoic acid；3-(4-octoxyphenyl)propanoic acid
• CAS: 79785-55-0
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: JVELRWKSSKYWBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-辛氧基苯基)丙酸 在 palladium diacetate 、 lipase from Pseudomonas Cepacia 作用下， 以 环己烷 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  The effect of vinyl esters on the enantioselectivity of the lipase-catalysed transesterification of alcohols

  摘要：

  The enantioselectivity of the lipase from Pseudomonas cepacia (PCL) in the transesterification of 2-phenyl-1-propanol I was studied using a series of vinyl 3-arylpropanoates as acyl donors. The most enantioselective transesterification reaction of the alcohol was attained by using vinyl 3-(p-iodophenyl)- or 3-(p-trifluoromethylphenyl)propanoates, with enantiomer ratios, E, of 116 and 138, respectively. Vinyl 3-phenylpropanoate was also effective for the resolution of 1 mediated by lipases from P. fluorescens and porcine pancreas and for the PCL-catalysed transesterification of several 2-phenyl-1-alkanols. The enantiomeric resolution of 1 was practically carried out by the first enantioselective transesterification using PCL and vinyl 3-(p-iodophenyl)propanoate to afford (R)-1 and then the enantioselective hydrolysis of the resultant ester to afford (S)-1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00083-0
• 作为产物：
  描述：

  1-溴辛烷 、 对羟基苯丙酸 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以65%的产率得到3-(4-辛氧基苯基)丙酸
  参考文献：
  名称：

  The effect of vinyl esters on the enantioselectivity of the lipase-catalysed transesterification of alcohols

  摘要：

  The enantioselectivity of the lipase from Pseudomonas cepacia (PCL) in the transesterification of 2-phenyl-1-propanol I was studied using a series of vinyl 3-arylpropanoates as acyl donors. The most enantioselective transesterification reaction of the alcohol was attained by using vinyl 3-(p-iodophenyl)- or 3-(p-trifluoromethylphenyl)propanoates, with enantiomer ratios, E, of 116 and 138, respectively. Vinyl 3-phenylpropanoate was also effective for the resolution of 1 mediated by lipases from P. fluorescens and porcine pancreas and for the PCL-catalysed transesterification of several 2-phenyl-1-alkanols. The enantiomeric resolution of 1 was practically carried out by the first enantioselective transesterification using PCL and vinyl 3-(p-iodophenyl)propanoate to afford (R)-1 and then the enantioselective hydrolysis of the resultant ester to afford (S)-1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00083-0

文献信息

• Cyclic polypeptide with antibiotic activity and a process for preparation thereof
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0729974A1

  公开（公告）日：1996-09-04

  A polypeptide compound of the following general formula : whereinR1 is acyl group, R2 is acyloxy, R3 is hydrogen and R4 is hydrogen and a pharmaceutically acceptable salt thereof, a process for its preparation and pharmaceutical compositions comprising it. The invention relates also to use of the compound for the manufacture of a medicament for treating or preventing infectious diseases.

  以下是通用式的多肽化合物： 其中，R1是酰基，R2是酰氧基，R3是氢，R4是氢，以及其药学上可接受的盐，制备该化合物的方法以及包含它的制药组合物。本发明还涉及使用该化合物制造治疗或预防传染病的药物。
• Pharmaceutical composition against Pneumocystis carinii
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0486011A2

  公开（公告）日：1992-05-20

  Use of a polypeptide compound of the formula : wherein R¹ is hydrogen or acyl group, R² is hydroxy or acyloxy, R³ is hydrogen, hydroxy or hydroxysulfonyloxy, R⁴ is hydrogen or carbamoyl, and R⁵ and R⁶ are each hydrogen or hydroxy, with proviso that (i) R² is acyloxy, when R³ is hydrogen, and (ii) R⁵ is hydrogen, when R⁶ is hydrogen, or a pharmaceutically acceptable salt thereof for the preparation of a medicament for the prevention and/or the treatment of Pneumocystis carinii infection.

  使用式 ： 其中 R¹ 是氢或酰基 R² 是羟基或酰氧基、 R³ 是氢、羟基或羟基磺酰氧基、 R⁴ 是氢或氨基甲酰基，以及 R⁵ 和 R⁶ 均为氢或羟基、 但条件是 (i) 当 R³ 为氢时，R² 为酰氧基，以及 (ii) 当 R⁵ 是氢时，R⁶ 是氢、 或其药学上可接受的盐，用于制备预防和/或治疗卡氏肺囊虫感染的药物。
• GLYCOLIPID DERIVATIVES, PROCESS FOR PRODUCTION OF THE SAME, INTERMEDIATES FOR SYNTHESIS THEREOF, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES
  申请人：Daiichi Asubio Pharma Co., Ltd.

  公开号：EP1619199A1

  公开（公告）日：2006-01-25

  Novel glycolipid derivatives, where the substituent of the sphingosine base part is a short carbon chain alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group and efficient synthetic methods for practical mass production of the same and intermediates useful for the synthesis of these compounds. Glycolipids having the formula (I): where R3 indicates a substituted or unsubstituted C1 to C7 linear alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group, or substituted or unsubstituted aralkyl group and R8 indicates a substituted or unsubstituted C1 to C35 alkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group are chemically synthesized.

  新型糖脂衍生物（其中鞘磷脂基部分的取代基为短碳链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基）以及用于实际大规模生产这些衍生物的高效合成方法和用于合成这些化合物的中间体。 具有式 (I) 的糖脂： 其中 R3 表示取代或未取代的 C1 至 C7 直链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基，R8 表示取代或未取代的 C1 至 C35 烷基、取代或未取代的芳基或取代或未取代的芳烷基。
• Glycolipid derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates
  申请人：Japan as represented by President of National Center of Neurology and Psychiatry Ministry of Health

  公开号：EP2343306A1

  公开（公告）日：2011-07-13

  Novel glycolipid derivatives, where the substituent of the sphingosine base part is a short carbon chain alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group and efficient synthetic methods for practical mass production of the same and intermediates useful for the synthesis of these compounds. Glycolipids having the formula (I): where R3 indicates a substituted or unsubstituted C1 to C7 linear alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group, or substituted or unsubstituted aralkyl group and R8 indicates a substituted or unsubstituted C1 to C35 alkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group are chemically synthesized.

  新型糖脂衍生物（其中鞘磷脂基部分的取代基为短碳链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基）以及用于实际大规模生产这些衍生物的高效合成方法和用于合成这些化合物的中间体。 具有式 (I) 的糖脂： 其中 R3 表示取代或未取代的 C1 至 C7 直链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基，R8 表示取代或未取代的 C1 至 C35 烷基、取代或未取代的芳基或取代或未取代的芳烷基。
• Glycolipids derivatives, process for production of the same, intermediates for synthesis thereof, and process for production of the intermediates
  申请人：Annoura Hirokazu

  公开号：US20060074235A1

  公开（公告）日：2006-04-06

  Novel glycolipid derivatives, where the substituent of the sphingosine base part is a short carbon chain alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group and efficient synthetic methods for practical mass production of the same and intermediates useful for the synthesis of these compounds. Glycolipids having the formula (I): where R 3 indicates a substituted or unsubstituted C 1 to C 7 linear alkyl group, substituted or unsubstituted cycloalkyl group, substituted or unsubstituted aryl group, or substituted or unsubstituted aralkyl group and R 8 indicates a substituted or unsubstituted C 1 to C 35 alkyl group, substituted or unsubstituted aryl group or substituted or unsubstituted aralkyl group are chemically synthesized.

  新型糖脂衍生物（其中鞘磷脂基部分的取代基为短碳链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基）以及用于实际大规模生产这些衍生物的高效合成方法和用于合成这些化合物的中间体。 具有式 (I) 的糖脂： 其中 R 3 表示取代或未取代的 C 1 至 C 7 直链烷基、取代或未取代的环烷基、取代或未取代的芳基或取代或未取代的芳烷基，以及 R 8 表示取代或未取代的 C 1 至 C 35 烷基、取代或未取代芳基或取代或未取代芳烷基的化学合成。