2-isopropyl-4-methylpentansaeuremethylester | 21239-25-8

• 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-isopropyl-4-methylpentansaeuremethylester
• 英文别名: Methyl 4-methyl-2-propan-2-ylpentanoate
• CAS: 21239-25-8
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: SNAMBDQXQILALN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  二异丁基酮 在 磺酰氯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-isopropyl-4-methylpentansaeuremethylester
  参考文献：
  名称：

  Foehlisch, Baldur; Gehrlach, Eberhard; Henle, Gerhard, Journal of Chemical Research, Miniprint, 1991, p. 1401 - 1461

  摘要：

  DOI：

文献信息

• HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150245616A1

  公开（公告）日：2015-09-03

  Herbicidally and fungicidally active 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), X, X 2 to X 6 , R 1 to R 4 are radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的5-氧代取代的3-苯基异噁唑啉-5-羧酰胺和5-氧代取代的3-苯基异噁唑啉-5-硫酰胺的化合物如下式（I）所述。 在这个式子（I）中，X，X2至X6，R1至R4是氢、卤素和有机基团，如取代烷基等。A是一个键或二价基团。Y是硫族元素。
• [EN] COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS<br/>[FR] COMPOSÉS ET PROCÉDÉS DESTINÉS AU TRAITEMENT DE LA STÉATOHÉPATITE NON ALCOOLIQUE
  申请人：AVALIV THERAPEUTICS

  公开号：WO2019111225A1

  公开（公告）日：2019-06-13

  Compounds and compositions are provided having the structure of Formula (I) or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, wherein T, T', U, U', V, W, R1, R2, R3', n, o, o', o'', and o''' are as defined herein. Such compounds are useful for treating liver diseases and abnormal liver conditions, including non-alcoholic steatohepatitis via inhibition of the lysosomal enzyme cathepsin D. Accordingly, a variety of treatment methods are hereby disclosed, including treatment of underlying conditions such as hepatic inflammation, aberrant lipid metabolism, and irregular lysosomal function.

  提供具有Formula (I)结构或其药用可接受的盐、互变异构体或立体异构体的化合物和组合物，其中T、T'、U、U'、V、W、R1、R2、R3'、n、o、o'、o''和o'''如本文所定义。这些化合物可用于治疗肝病和异常肝脏状况，包括通过抑制溶酶体酶蛋白酶D来治疗非酒精性脂肪性肝炎。因此，这里公开了各种治疗方法，包括治疗基础疾病，如肝脏炎症、异常脂质代谢和溶酶体功能异常。
• HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150223461A1

  公开（公告）日：2015-08-13

  Herbicidally and fungicidally active 3-heteroaryl-isoxazoline-5-carboxamides and 3-heteroaryl-isoxazoline-5-thioamides Herbicidally and fungicidally active 3-heteroarylisoxazoline-5-carboxamides and 3-heteroarylisoxazoline-5-thioamides of the formula (I) are described. In this formula (I), R represents radicals such as hydrogen, halogen and organic radicals such as substituted alkyl. A is a bond or a divalent unit. Y is a chalcogen.

  具有除草和杀菌活性的3-杂环芳基异噁唑啉-5-羧酰胺和3-杂环芳基异噁唑啉-5-硫酰胺被描述为具有除草和杀菌活性的化合物。在公式（I）中，R代表氢，卤素和有机基团，例如取代的烷基。 A是一个键或二价基团。 Y是硫族元素。
• Compounds and Methods For Treatment of Thrombosis
  申请人：Deng Hongfeng

  公开号：US20080146811A1

  公开（公告）日：2008-06-19

  The invention provides compounds, pharmaceutical compositions, and methods for the treatment of thromboembolic disorders, such as, for example, arterial cardiovascular thromboembolic disorders, venous cardiovascular thromboembolic disorders, or thromboembolic disorders in the chambers of the heart.

  本发明提供了用于治疗血栓栓塞性疾病的化合物、制药组合物和方法，例如，动脉心血管血栓栓塞性疾病、静脉心血管血栓栓塞性疾病或心脏房室的血栓栓塞性疾病。
• Correlations between Structure and Nuclear Magnetic Resonance Spectra for Aliphatic Esters¹
  作者：Oscar Rosado-Lojo、C. Kinney Hancock、Alfred Danti

  DOI：10.1021/jo01344a052

  日期：1966.6