Iso-butyl nicotinate | 31678-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Iso-butyl nicotinate
• 英文别名: isobutyl nicotinate；nicotinic acid isobutyl ester；Nicotinsaeure-isobutylester；Pyridin-3-carbonsaeure-isobutylester；Pyridin-carbonsaeure-3-isobutylester；Pyridin-3-carboxylic acid, isobutyl ester；2-methylpropyl pyridine-3-carboxylate
• CAS: 31678-58-7
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: XILISKMVHRCEKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  242 °C
• 密度：
  1.051±0.06 g/cm3(Predicted)
• 保留指数：
  1346.8

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Iso-butyl nicotinate 在 双氧水 、 溶剂黄146 作用下， 生成 1-oxy-nicotinic acid isobutyl ester
  参考文献：
  名称：

  Katritzky et al., Journal of the Chemical Society, 1959, p. 3680,3681

  摘要：

  DOI：
• 作为产物：
  描述：

  烟酸 在 吡啶 、 氯化亚砜 作用下， 生成 Iso-butyl nicotinate
  参考文献：
  名称：

  Katritzky et al., Journal of the Chemical Society, 1959, p. 3680,3681

  摘要：

  DOI：

文献信息

• Green alternative solvents for the copper-catalysed arylation of phenols and amides
  作者：Carlo Sambiagio、Rachel H. Munday、A. John Blacker、Stephen P. Marsden、Patrick C. McGowan

  DOI：10.1039/c6ra02265k

  日期：——

  for the Cu-catalysed arylation of phenols and amides is reported. Alkyl acetates proved to be efficient solvents in the catalytic processes, and therefore excellent alternatives to the typical non-green solvents used for Cu-catalysed arylation reactions. Solvents such as isosorbide dimethyl ether (DMI) and diethyl carbonate also appear to be viable possibilities for the arylation of phenols. Finally

  报道了使用绿色有机溶剂进行铜催化的苯酚和酰胺基芳基化的研究。乙酸烷基酯被证明是催化过程中的有效溶剂，因此是用于Cu催化的芳基化反应的典型非绿色溶剂的极佳替代品。诸如异山梨醇二甲醚（DMI）和碳酸二乙酯之类的溶剂似乎也可以用于酚的芳基化。最后，报道了一种新颖的铜催化的酰基转移方法。
• Sonogashira coupling reactions in biodegradable ionic liquids derived from nicotinic acid
  作者：Jitendra R. Harjani、Theodore J. Abraham、Alwyn T. Gomez、M. Teresa Garcia、Robert D. Singer、Peter J. Scammells

  DOI：10.1039/b919394d

  日期：——

  The biodegradable ionic liquids, 3-butoxycarbonyl-1-methylpyridinium bis(trifluoromethanesulfonyl)imides (1a–d), have been evaluated as solvents for copper- and phosphine-free Sonogashira coupling reactions. The stability of these ionic liquids toward basic conditions was analysed in order to further probe their utility for transition metal catalyzed reactions which require the presence of a base.

  可生物降解的离子液体3-丁氧基羰基-1-甲基吡啶双（三氟甲磺酰基）酰亚胺（1a–d）的评估为溶剂 为了 铜- 和 膦-自由的 Sonogashira联轴器反应。为了进一步分析这些离子液体在碱性条件下的稳定性，探测 它们可用于需要碱存在的过渡金属催化反应。
• Cosmetic composition
  申请人：UNILEVER PLC

  公开号：EP0489581A2

  公开（公告）日：1992-06-10

  Compositions containing an ester of nicotinic acid and a cosmetically acceptable surfactant are provided. These compositions, when applied topically to the human body produce a response such as a sensory or therapeutic response, for example a tingling or warming sensation or an increase in blood flow, which persists after the composition is rinsed from the body. The compositions are particularly suitable for application to the hair and/or scalp where they may encourage hair growth. Compositions for application to the hair and/or scalp preferably additionally comprise hair benefit agents such as hair growth promoters.

  提供含有烟酸酯和化妆品可接受的表面活性剂的组合物。这些组合物在局部涂抹到人体时会产生一种感官或治疗反应，例如刺痛或温热感觉，或者增加血液流动，这种反应在组合物被冲洗后仍然持续。这些组合物特别适用于涂抹到头发和/或头皮，可以促进头发生长。用于涂抹到头发和/或头皮的组合物最好还包括头发益处剂，如促进头发生长的剂。
• COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE
  申请人：Jandeleit Bernd

  公开号：US20090076147A1

  公开（公告）日：2009-03-19

  Pantoic acid ester neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.

  本文公开了帕托酸酯新戊磺酰酯丙戊酸酯前药、包含这种前药的制药组合物以及使用这种前药和组合物治疗疾病的方法。具体而言，本文公开了增强口服生物利用度的丙戊酸酯前药，并公开了使用丙戊酸酯前药治疗神经退行性疾病、精神疾病、情绪障碍、焦虑障碍、躯体形式障碍、运动障碍、物质滥用障碍、暴食症、皮层扩散性抑制相关障碍、耳鸣、睡眠障碍、多发性硬化和疼痛的方法。
• FUNGICIDAL BICYCLIC PYRAZOLES
  申请人：Bisaha John Joseph

  公开号：US20100273775A1

  公开（公告）日：2010-10-28

  Disclosed are compounds of Formulae 1 and 1a, N-oxides, and salts thereof, wherein R 1 , R 1a , Y, and J are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention. Further disclosed is a method for preparing compounds of Formula 1 from compounds of Formula 1a.

  本发明涉及公式1和1a的化合物、N-氧化物及其盐，其中R1、R1a、Y和J的定义见说明书。本发明还涉及含有公式1化合物的组合物以及用该发明的化合物或组合物控制由真菌病原体引起的植物病害的方法。本发明还涉及从公式1a化合物制备公式1化合物的方法。