异丁酸2-乙氧基乙酯 | 54396-97-3

• 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
• 中文名称: 异丁酸2-乙氧基乙酯
• 英文名称: 2-Ethoxyethyl isobutyrate
• 英文别名: isobutyric acid-(2-ethoxy-ethyl ester)；Isobuttersaeure-(2-aethoxy-aethylester)；2-ethoxyethyl 2-methylpropanoate
• CAS: 54396-97-3
• 化学式: C₈H₁₆O₃
• mdl: MFCD00009250
• 分子量: 160.213
• InChiKey: ANSOCBLHUNAGRK-UHFFFAOYSA-N

物化性质

• 沸点：
  85 °C / 7mmHg
• 密度：
  0.93
• 闪点：
  57 °C
• LogP：
  1.330 (est)
• 大气OH速率常数：
  1.35e-11 cm3/molecule*sec
• 稳定性/保质期：

  如果按照规格使用和储存，则不会分解，没有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  3.2
• 海关编码：
  2915900090
• 包装等级：
  III
• 危险类别：
  3.2

文献信息

• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150305334A1

  公开（公告）日：2015-10-29

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)cyclohexanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  本发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)环己醇或其盐，其中通式(I)中的基团与描述中给定的定义相对应，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS
  申请人：BAYER CROPSCIENCE AG

  公开号：US20150315146A1

  公开（公告）日：2015-11-05

  The invention relates to the use of substituted 1-(arylethynyl)-, 1-(heteroarylethynyl)-, 1-(heterocyclylethynyl)- and 1-(cycloalkenylethynyl)bicycloalkanols or salts thereof where the radicals in the general formula (I) correspond to the definitions given in the description, for enhancing stress tolerance in plants to abiotic stress and/or for increasing plant yield.

  该发明涉及使用取代的1-(芳基乙炔基)-、1-(杂芳基乙炔基)-、1-(杂环基乙炔基)-和1-(环烯基乙炔基)双环戊醇或其盐，其中一般式(I)中的基团对应于描述中给定的定义，用于增强植物对非生物胁迫的耐受性和/或增加植物产量。
• NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO
  申请人：DYCK Brian

  公开号：US20110166116A1

  公开（公告）日：2011-07-07

  New compounds are disclosed which have utility in the treatment of a variety of metabolic related conditions in a patient. The compounds of this invention have the structure (I): wherein R 1 , R 2 , R 3 , n, p, q, and Ar are as defined herein, including stereoisomers, and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions comprising a compound of this invention, as well as methods relating to the use thereof in a patient in need thereof.

  本发明披露了一种新化合物，其在治疗患者的各种代谢相关疾病方面具有用途。本发明的化合物具有结构（I）：其中R1、R2、R3、n、p、q和Ar的定义如本文所述，包括立体异构体和药物可接受的盐。本发明还披露了包括本发明化合物的制药组合物，以及与在需要时使用该化合物的相关方法。
• MACROCYCLES AS FACTOR XIA INHIBITORS
  申请人：Corte James R.

  公开号：US20120041190A1

  公开（公告）日：2012-02-16

  The present invention provides compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof, wherein all the variables are as defined herein. These compounds are selective Factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式(I)的化合物：或其立体异构体、互变异构体或药学上可接受的盐，其中所有变量如此定义。这些化合物是选择性因子XIa抑制剂或fXIa和血浆卡利肌酶的双重抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• Ionic Liquid Solvents
  申请人：Gathergood Nicholas

  公开号：US20120071661A1

  公开（公告）日：2012-03-22

  A chiral ionic compound comprising an alkyl substituted imidazolium or pyridinium cationic core having an alkyl ester side chain (-alkyl-C(O)O—) directly linked to the core and an associated counter anion, characterized in that the —O— atom of the ester side chain is linked to an alpha, a beta or a gamma hydroxycarboxylic acid functionality via the alpha, beta or gamma hydroxy of the acid functionality and the hydroxycarboxylic acid functionality has at least one asymmetric carbon, or characterized in that an —N═ atom of the alkyl substituted imidazolium or pyridinium cationic core is substituted with an alpha, a beta or a gamma hydroxy group of a alpha, a beta or a gamma hydroxycarboxylic acid functionality and the hydroxycarboxylic acid functionality has at least one asymmetric carbon. The chiral ionic liquids (CILs) may be used as novel solvents, in particular for organic synthesis. The CILs have the potential to induce asymmetry into substrates or catalysts in a variety of organic transformations. A number of the compounds have low antimicrobial and low antifungal toxicities and are also biodegradable CILs.

  一种手性离子化合物，包括具有烷基取代的咪唑或吡啶阳离子核心，其具有直接连接到核心的烷基酯侧链（-alkyl-C（O）O-）和相关的对应阴离子。其特征在于酯侧链的-O-原子通过酸性官能团的α，β或γ羟基与α，β或γ羟基羟基羧酸官能团相连，并且羟基羧酸官能团具有至少一个不对称碳，或特征在于烷基取代的咪唑或吡啶阳离子核心的-N═原子被α，β或γ羟基羟基羧酸官能团的α，β或γ羟基取代，并且羟基羧酸官能团具有至少一个不对称碳。这些手性离子液体（CILs）可以作为新型溶剂，特别是用于有机合成。CILs有潜力在各种有机转化中引入对称性到底物或催化剂中。其中一些化合物具有低抗菌和低抗真菌毒性，并且也是可生物降解的CILs。

表征谱图