3-propyloxy-2,2-dimethylpropionic acid | 321992-67-0

• 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: 3-propyloxy-2,2-dimethylpropionic acid
• 英文别名: 2,2-Dimethyl-3-propoxypropanoic acid
• CAS: 321992-67-0
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: SONMPYFVVLVNEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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-propyloxy-2,2-dimethylpropionic acid 在 四丁基氟化铵 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 S-2-hydroxyethyl 2,2-dimethyl-3-propoxypropanethioate
  参考文献：
  名称：

  Cyclic monophosphate prodrugs of base-modified 2′-C-methyl ribonucleosides as potent inhibitors of hepatitis C virus RNA replication

  摘要：

  A new series of heterobase-modified 2 '-C-methyl ribonucleosides was synthesized and tested as inhibitors of hepatitis C virus (HCV) RNA replication. The nucleosides showed a weak inhibitory activity in a HCV replicon system (EC50 = 92 mu M) and did not exhibit any cytotoxicity (CC50 > 300 mu M). Cyclic monophosphate (cMP) prodrugs of the same nucleosides were synthesized and also tested in the HCV replicon system. Prodrugs exhibited strong potency (EC50 = 0-008)mu M) without significant cytotoxicity (CC50 > 50 mu M). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.030
• 作为产物：
  描述：

  羟基三甲基乙酸甲酯 在 sodium hydroxide 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 24.0h， 生成 3-propyloxy-2,2-dimethylpropionic acid
  参考文献：
  名称：

  Cyclic monophosphate prodrugs of base-modified 2′-C-methyl ribonucleosides as potent inhibitors of hepatitis C virus RNA replication

  摘要：

  A new series of heterobase-modified 2 '-C-methyl ribonucleosides was synthesized and tested as inhibitors of hepatitis C virus (HCV) RNA replication. The nucleosides showed a weak inhibitory activity in a HCV replicon system (EC50 = 92 mu M) and did not exhibit any cytotoxicity (CC50 > 300 mu M). Cyclic monophosphate (cMP) prodrugs of the same nucleosides were synthesized and also tested in the HCV replicon system. Prodrugs exhibited strong potency (EC50 = 0-008)mu M) without significant cytotoxicity (CC50 > 50 mu M). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.030

文献信息

• Heterogeneously Catalysed Synthesis of New 3-Alkoxypivalic Acids from Substituted 1,3-Dioxanes
  作者：Jutta Fischer、Wolfgang F. Hölderich

  DOI：10.1006/jcat.2000.2956

  日期：2000.9

  3-alkyloxypivalic acids starting from substituted 1,3-dioxanes were examined. While one-step procedures combining isomerisation and oxidation were not successful due to degradation of formed intermediates and products, a two-step environmentally benign method could be established using O2 as oxidant in the presence of heterogeneous catalysts. The scope of the method was tested by use of several 1,3-dioxanes and

  从取代的1，3-二恶烷开始，研究了几种制备有趣和有价值的化合物3-烷氧基新戊酸的方法。尽管由于形成的中间体和产物的降解，将异构化和氧化相结合的一步法不成功，但是可以在异相催化剂存在下使用O 2作为氧化剂建立一种两步法环境友好的方法。该方法的范围通过使用几种1,3-二恶烷进行了测试，并对分离出的新戊酸衍生物进行了表征。
• Amelioration of cataracts, macular degeneration and other ophthalmic diseases
  申请人：Matier L. William

  公开号：US20050131025A1

  公开（公告）日：2005-06-16

  Ophthalmically acceptable compositions used in arresting the development of cataract, presbyopia, macular degeneration and other retinopathies, glaucoma, uveitis and various corneal disorders are disclosed. The compositions are also useful as a prophylactic treatment to prevent or delay development of age-related ocular disorders, which include cataracts, presbyopia, glaucoma and macular degeneration. The compositions comprise a pharmaceutically acceptable carrier or diluent and at least one compound having the formula: where R 1 and R 2 are, independently, H or C 1 to C 3 alkyl; R 3 and R 4 are, independently C 1 to C 3 alkyl; and where R 1 and R 2 , taken together, or R 3 and R 4 , taken together, or both may be cycloalkyl; R 5 is H, OH, or C 1 to C 6 alkyl; R 6 is or C 1 to C 6 alkyl, alkenyl, alkynyl, or substituted alkyl or alkenyl; R 7 is C 1 to C 6 alkyl, alkenyl, alkynyl, or substituted alkyl or alkenyl or where R 6 and R 7 , or R 5 , R 6 and R 7 , taken together, form a carbocycle or heterocycle having from 3 to 7 atoms in the ring.

  本发明涉及可用于阻止白内障、老视、黄斑变性和其他视网膜病变、青光眼、葡萄膜炎以及各种角膜疾病的眼科可接受的组合物。该组合物还可用作预防性治疗，以预防或延迟年龄相关的眼部疾病的发展，包括白内障、老视、青光眼和黄斑变性。该组合物包括一种药用可接受的载体或稀释剂和至少一种具有以下式子的化合物：其中R1和R2独立地为H或C1到C3烷基；R3和R4独立地为C1到C3烷基；而R1和R2一起取代，或R3和R4一起取代，或两者都可以是环烷基；R5为H、OH或C1到C6烷基；R6为C1到C6烷基、烯基、炔基或取代的烷基或烯基；R7为C1到C6烷基、烯基、炔基或取代的烷基或烯基，或者R6和R7，或者R5、R6和R7一起形成一个具有3到7个原子的环烷或杂环。
• Amelioration Of The Development Of Cataracts And Other Ophthalmic Diseases
  申请人：Matier William L.

  公开号：US20130131052A1

  公开（公告）日：2013-05-23

  Ophthalmically acceptable compositions used in arresting the development of cataracts or macular degeneration comprising a pharmaceutically acceptable carrier or diluent and a compound having the formula: where R 1 and R 2 are, independently, H or C 1 to C 3 alkyl; R 3 and R 4 are, independently C 1 to C 3 alkyl; and where R 1 and R 2 , taken together, or R 3 and R 4 , taken together, or both may be cycloalkyl; R 5 is H, OH, or C 1 to C 6 alkyl; R 6 is or C 1 to C 6 alkyl, alkenyl, alkynyl, or substituted alkyl or alkenyl; R 7 is C 1 to C 6 alkyl, alkenyl, alkynyl, or substituted alkyl or alkenyl or where R 6 and R 7 , or R 5 , R 6 and R 7 , taken together, form a carbocycle or heterocycle having from 3 to 7 atoms in the ring.

  眼科可接受的组合物，用于阻止白内障或黄斑变性的发展，包括一种药学可接受的载体或稀释剂和一种具有以下化学式的化合物：其中R1和R2分别为H或C1到C3烷基；R3和R4分别为C1到C3烷基；且其中R1和R2，一起取或R3和R4，一起取或两者都可以是环烷基；R5为H，OH或C1到C6烷基；R6为C1到C6烷基，烯基，炔基或取代的烷基或烯基；R7为C1到C6烷基，烯基，炔基或取代的烷基或烯基，或者其中R6和R7，或R5，R6和R7一起形成具有3到7个原子的碳环或杂环。
• Novel compositions of material, especially lubricants and pressure transmitting means, the production and use thereof
  申请人：——

  公开号：US20030186823A1

  公开（公告）日：2003-10-02

  The invention relates to novel compositions of matter which may advantageously be used as lubricants or pressure transfer media or else for functional liquids and lubricant additives. The lubricants according to the invention are the reaction products of an electro-philic addition of linear or branched, aliphatic or aromatic carboxylic acids, carboxylic anhydrides, carbonyl halides or novel neoacids to the double bonds of fatty acids, esters thereof and/or of other fatty acid derivatives and also of synthetic esters. Owing to their increased oxidation resistance compared to the starting materials and also their low toxicity, the novel class of synthetic esters based on oleochemicals may find use in novel environmentally compatible lubricants, pressure transfer systems, functional liquids and lubricant additives.

  本发明涉及一种新型物质组成，可优势地用作润滑剂或压力传递介质，或者用于功能液体和润滑剂添加剂。根据本发明，润滑剂是线性或支链的，脂肪族或芳香族羧酸，羧酸酐，羰基卤化物或新型新酸通过亲电加成反应与脂肪酸，其酯和/或其他脂肪酸衍生物以及合成酯的双键反应生成的产物。由于与起始材料相比具有较高的氧化抵抗性和低毒性，基于油脂化学的新型合成酯类可以用于新型环境兼容的润滑剂、压力传递系统、功能液体和润滑剂添加剂。
• Verfahren zur Herstellung von Aldolen
  申请人：BASF Aktiengesellschaft

  公开号：EP0129774A1

  公开（公告）日：1985-01-02

  Die Herstellung von neuen Etheraldolen der allgemeinen Formel (1) (R' und R2 Alkyl) gelingt durch Umsetzung von 2- Alkylacroleinen H2C = CHR2-CHO, Alkoholen R'OH und vorzugsweise wäßrigem Formaldehyd in Gegenwart eines tertiären Amins.

  通式(1)的新醚醛的制备方法如下 (R'和 R2 烷基）的方法是在叔胺存在下，使 2-烷基丙烯醛 H2C = CHR2-CHO、醇 R'OH 和最好是甲醛水溶液反应。