3-ethyl-valeryl chloride | 50599-74-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 3-ethyl-valeryl chloride
• 英文别名: 3-Aethyl-valerylchlorid；3-ethylpentanoyl chloride；Pentanoyl chloride, 3-ethyl-
• CAS: 50599-74-1
• 化学式: C₇H₁₃ClO
• 分子量: 148.633
• InChiKey: ZAGGRKWDTCOZRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-ethyl-valeryl chloride 在 sodium tetrahydroborate 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK)

  摘要：

  Thymidylate kinase (TMK) is an essential enzyme in bacterial DNA synthesis. The deoxythymidine monophosphate (dTMP) substrate binding pocket was targeted in rational-design, structure-supported effort, yielding a unique series of antibacterial agents showing a novel, induced-fit binding mode. Lead optimization, aided by X-ray crystallography, led to picomolar inhibitors of both Streptococcus pneumoniae and Staphylococcus aureus TMK. MICs < 1 mu g/mL were achieved against methicillin-resistant S. aureus (MRSA), S. pneumoniae, and vancomycin-resistant. Enterococcus (VRE). Log D adjustments yielded single diastereomers 14 (TK-666) and 46, showing a broad antibacterial spectrum against Gram-positive bacteria and excellent selectivity against the human thymidylate kinase ortholog.

  DOI：

  10.1021/jm3011806
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯化磷 作用下， 生成 3-ethyl-valeryl chloride
  参考文献：
  名称：

  DE222809

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE MORPHOLINE ET DE THIOMORPHOLINE SUBSTITUÉS
  申请人：LUNDBECK & CO AS H

  公开号：WO2005087754A1

  公开（公告）日：2005-09-22

  The present invention relates to morpholine and thiomorpholine derivatives of the general formula I or pharmaceutically acceptable salts thereof and their use.

  本发明涉及一般式I的吗啉和硫代吗啉衍生物或其药用盐及其用途。
• Method for producing 1-iodoalkyl acylates
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04593115A1

  公开（公告）日：1986-06-03

  An 1-Iodoalkyl acylate, which is useful as the raw material for esterification of cephalosporins, penicillins, etc. is prepared in a high degree of purity and in high yield by (1) allowing a carboxylic acid iodide to react with an aldehyde, or (2) allowing a carboxylic acid chloride to react with a salt of hydriodic acid and then allowing the resulting product to react with an aldehyde, or (3) by simultaneously allowing a carboxylic acid chloride, a salt of hydriodic acid and an aldehyde to react with one another.

  一种1-碘烷基酰酸酯，可用作头孢菌素、青霉素等酯化反应的原料，通过以下方式制备：（1）使羧酸碘化物与醛反应，或（2）使羧酸氯化物与碘化氢盐反应，然后使生成的产物与醛反应，或（3）同时使羧酸氯化物、碘化氢盐和醛相互反应，以高纯度和高产率制备。
• Cannabinoid receptor ligands and uses thereof
  申请人：Pfizer Inc.

  公开号：US20040077650A1

  公开（公告）日：2004-04-22

  Compounds of Formula (I) that act as cannabinoid receptor ligands and their uses in the treatment of diseases linked to the modulation of the cannabinoid receptors in animals are described herein. 1

  本文描述了作为大麻素受体配体的化合物（I）及其在治疗与动物体内大麻素受体调节相关疾病中的用途。
• Intermolecular Enolate Heterocoupling: Scope, Mechanism, and Application
  作者：Michael P. DeMartino、Ke Chen、Phil S. Baran

  DOI：10.1021/ja804159y

  日期：2008.8.27

  while iron(III)-based couplings appear to proceed through a non-templated heterodimerization. This work presents the most in-depth findings on the mechanism of oxidative enolate coupling to date. The scope of oxidative enolate heterocoupling is extensive (40 examples) and has been shown to be efficient even on a large scale (gram-scale or greater). Finally, the method has been applied to the total synthesis

  这篇完整的报告介绍了两种不同羰基物质的氧化分子间偶联的背景、发现和广泛的见解。该过程的优化最终形成了使用可溶性铜 (II) 或铁 (III) 盐作为氧化剂将酰胺、酰亚胺、酮和羟吲哚结合的可靠且可扩展的方案。广泛的机理研究表明，在铜 (II) 的情况下是金属螯合的单电子转移过程，而基于铁 (III) 的偶联似乎是通过非模板化的异二聚化进行的。这项工作提供了迄今为止对氧化烯醇偶联机制最深入的发现。氧化烯醇杂偶联的范围很广（40 个例子），并且已被证明即使在大规模（克级或更大）上也是有效的。最后，
• Lignan analogues, methods of preparation thereof and anti-hyperlipemic
  申请人：Shionogi & Co., Ltd.

  公开号：US05449814A1

  公开（公告）日：1995-09-12

  An anti-hyperlipemic agent which has a potent activity of reducing LDL and VLDL cholesterols, which are thought to be a risk factor for arteriosclerosis among total blood cholesterols, and which is excellent in the antioxidant activity on LDL, is provided. Additionally, a compound and a pharmaceutically acceptable salt thereof are disclosed, which is represented by Formula (I): ##STR1## [wherein R.sup.1 is a lower alkyl, cycloalkyl, cycloalkyl-lower alkyl, aryl or aralkyl group which is optionally substituted; R.sup.2 is a group represented by the formula: --COOR' (wherein R' is a lower alkyl or aralkyl which is optionally substituted), lower alkyl or halogenated lower alkyl; or R.sup.1 and R.sup.2, together with adjacent carbonyl group, form a cyclohexanone ring represented by the formula: ##STR2## R.sup.3 is a phenyl group optionally being substituted, and, ring A is a benzene nucleus which is optionally substituted, or a heterocyclic ring containing S or O optionally being substituted].

  提供了一种抗高脂血症药物，具有降低总血胆固醇中被认为是动脉硬化风险因素的LDL和VLDL胆固醇的强效活性，并且在LDL的抗氧化活性方面表现出色。此外，还披露了一种化合物及其药学上可接受的盐，其表示为式（I）：##STR1##[其中R1是可选择取代的较低烷基、环烷基、环烷基-较低烷基、芳基或芳基烷基；R2是由公式表示的基团：--COOR'（其中R'是可选择取代的较低烷基或芳基烷基）、较低烷基或卤代较低烷基；或R1和R2连同相邻的羰基基团形成由公式表示的环己酮环；R3是可选择取代的苯基；环A是可选择取代的苯环或含有S或O的杂环。]