2,4-Dimethyl-valeriansaeure-methylester | 71672-33-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,4-Dimethyl-valeriansaeure-methylester
• 英文别名: Methyl 2,4-dimethylpentanoate
• CAS: 71672-33-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: YVRSBVTZWFNBRU-UHFFFAOYSA-N

物化性质

• 沸点：
  98 °C(Press: 150 Torr)
• 密度：
  0.8731 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-Methyl-penten-(4)-carbonsaeure-(2)-methylester 生成 2,4-Dimethyl-valeriansaeure-methylester
  参考文献：
  名称：

  Alder,K.; von Brachel,H., Justus Liebigs Annalen der Chemie, 1962, vol. 651, p. 141 - 153

  摘要：

  DOI：

文献信息

• PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS
  申请人：Muramoto Kenzo

  公开号：US20070219178A1

  公开（公告）日：2007-09-20

  The preventive or therapeutic agents of the present invention for multiple sclerosis comprise compounds represented by the following formula (I), or salts or hydrates thereof, [wherein, T 1 , X, Z 1 , Z 2 , and R 1 have the same meaning as T 1 , X, Z 1 , Z 2 , and R 1 in this application].

  本发明的预防或治疗多发性硬化症的药剂包括由以下式（I）所代表的化合物，或其盐或水合物，[其中，T1、X、Z1、Z2和R1的含义与本申请中的T1、X、Z1、Z2和R1相同]。
• CONDENSED IMIDAZOLE DERIVATIVES
  申请人：Yoshikawa Seiji

  公开号：US20090018331A1

  公开（公告）日：2009-01-15

  The present invention is related to compounds represented by the following formula, or salts or hydrates thereof wherein, T 1 represents a 4- to 12-membered heterocyclic group containing one or two nitrogen atoms in the ring, which is a monocyclic or bicyclic structure that may have one or more substituents; X represents a C 1-6 alkyl group which may have one or more substituents, or such; Z 1 and Z 2 each independently represent a nitrogen atom or a group represented by the formula —CR 2 —; R 1 and R 2 independently represent a hydrogen atom, a C 1-6 alkyl group which may have one or more substituents, or a C 1-6 alkoxy group which may have one or more substituents, or such. These are novel compounds that exhibit an excellent DPPIV-inhibiting activity.

  本发明涉及下式所示的化合物、盐或水合物： 其中， T1表示一个4-到12成员的杂环基团，在环中含有一个或两个氮原子，是单环或双环结构，可以有一个或多个取代基； X表示一个C1-6烷基基团，可以有一个或多个取代基； Z1和Z2各自独立地表示一个氮原子或由公式—CR2—表示的基团； R1和R2各自独立地表示氢原子、一个C1-6烷基基团，可以有一个或多个取代基，或一个C1-6烷氧基基团，可以有一个或多个取代基。 这些是具有出色的DPPIV抑制活性的新型化合物。
• PYRIDO[4,3-B]INDOLES AND METHODS OF USE
  申请人：Jain Rajendra Parasmal

  公开号：US20110245272A1

  公开（公告）日：2011-10-06

  This disclosure relates to new heterocyclic compounds that may be used to modulate a histamine receptor in an individual. Pyrido[4,3-b]indoles are described, as are pharmaceutical compositions comprising the compounds and methods of using the compounds in a variety of therapeutic applications, including the treatment of a cognitive disorder, psychotic disorder, neurotransmitter-mediated disorder and/or a neuronal disorder.

  本公开涉及新的杂环化合物，可用于调节个体的组胺受体。其中描述了吡啶并[4,3-b]吲哚，以及包含这些化合物的制药组合物和使用这些化合物在各种治疗应用中的方法，包括治疗认知障碍、精神障碍、神经递质介导的障碍和/或神经元障碍。
• THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME
  申请人：Yamagata Tsuyoshi

  公开号：US20100267796A1

  公开（公告）日：2010-10-21

  The present invention provides a therapeutic agent for irritable bowel syndrome which comprises, as an active ingredient, a compound having an adenosine uptake inhibitory activity, a therapeutic agent for irritable bowel syndrome which comprises, as an active ingredient, a tricyclic compound represented by formula (I) [wherein L represents —NHC(═O)— or the like, R 1 represents a hydrogen atom, halogen, or the like, X 1 —X 2 —X 3 represents S—CR 7 ═CR 8 (wherein R 7 and R 8 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like), or the like, Y represents —CH 2 SO 2 —, —SO 2 CH 2 — or the like, R 2 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkoxy, substituted or unsubstituted aryl, or the like] or a pharmaceutically acceptable salt thereof, and the like.

  本发明提供了一种治疗肠易激综合征的治疗剂，其包含作为活性成分的具有腺苷摄取抑制活性的化合物，一种治疗肠易激综合征的治疗剂，其包含作为活性成分的三环化合物，该三环化合物由公式（I）表示[其中L表示- NHC（═O）-或类似物，R1表示氢原子，卤素或类似物，X1-X2-X3表示S-CR7═CR8（其中R7和R8可相同或不同，每个表示氢原子，卤素，取代或未取代的低级烷基或类似物），或类似物，Y表示- CH2SO2-，-SO2CH2-或类似物，R2表示取代或未取代的低级烷基，取代或未取代的低级烷氧基，取代或未取代的芳基或类似物]或其药学上可接受的盐等。
• DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20140031334A1

  公开（公告）日：2014-01-30

  A heterocyclic compound or a salt thereof represented by the formula (1): where R 2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or lower alkenylene group; and R 1 represents an aromatic group or a heterocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种由公式（1）表示的杂环化合物或其盐： 其中，R2表示氢原子或低级烷基基团；A表示低级烷基烯基基团；R1表示芳香基团或杂环基团。本发明的化合物具有广泛的治疗精神障碍，包括中枢神经系统障碍的光谱，无副作用和高安全性。