diethyl 2-(hex-5-en-1-yl)malonate | 69298-59-5

• 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: diethyl 2-(hex-5-en-1-yl)malonate
• 英文别名: Diethyl (5-hexenyl)malonate；diethyl 2-hex-5-enylpropanedioate
• CAS: 69298-59-5
• 化学式: C₁₃H₂₂O₄
• 分子量: 242.315
• InChiKey: FSQVHVHUSXMPOB-UHFFFAOYSA-N

物化性质

• 沸点：
  120-121 °C(Press: 4 Torr)
• 密度：
  0.9755 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 2-(hex-5-en-1-yl)malonate 在 硫酸 作用下， 生成 丙位辛内酯
  参考文献：
  名称：

  Colonge,J.; Lasfargues,P., Bulletin de la Societe Chimique de France, 1962, p. 177 - 182

  摘要：

  DOI：
• 作为产物：
  描述：

  5-己烯-1-醇 在 吡啶 、 sodium ethanolate 、 三溴化磷 作用下， 以 乙醇 为溶剂， 生成 diethyl 2-(hex-5-en-1-yl)malonate
  参考文献：
  名称：

  Colonge,J.; Lasfargues,P., Bulletin de la Societe Chimique de France, 1962, p. 177 - 182

  摘要：

  DOI：

文献信息

• Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives via Ring-Closing Metathesis
  作者：Sambasivarao Kotha、Mukesh Shirbhate

  DOI：10.1055/s-0032-1317020

  日期：——

  A short synthetic approach to the macrocyclic framework of longithorone C is described via ring-closing metathesis using the Grubbs 2nd generation catalyst.

  使用 Grubbs 第二代催化剂，通过闭环复分解反应描述了长环酮 C 大环骨架的简短合成方法。
• [EN] CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS<br/>[FR] COMPOSÉS MONO ET SPIROCYCLIQUES CONTENANT DU CYCLOBUTANE ET DE L'AZÉTIDINE EN TANT QU'INHIBITEURS DE L'INTÉGRINE ALPHA V
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018089355A1

  公开（公告）日：2018-05-17

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αv- containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of av-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  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或溶剂，其中所有变量如本文所定义。这些化合物是αv-含有整合素的拮抗剂。本发明还涉及包括这些化合物的药物组合物以及利用这些化合物和药物组合物治疗与αv-含有整合素失调相关的疾病、紊乱或病况的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• Heterocyclic compounds
  申请人：——

  公开号：US20030166697A1

  公开（公告）日：2003-09-04

  The present invention provides a preventive or therapeutic agent for hyperlipidemia, comprising as an active ingredient a heterocyclic compound of the formula [1], or a pharmaceutically acceptable salt thereof: R 1 -Het-D-E  [1] wherein: R 1 is optionally substituted aryl or aromatic heterocyclic group, Het is a divalent aromatic heterocyclic group, D is alkylene, alkenylene, alkynylene, or the like, and E is carboxy, or the like, and novel compounds among the heterocyclic compounds of the formula [1] above, which has blood triglyceride lowering effect, LDL-C lowering effect, and blood glucose lowering effect and blood insulin lowering effect, or HDL-C increasing effect or atherogenic index lowering effect all together, and hence is useful in the prevention or treatment of hyperlipidemia, arteriosclerosis, diabetes mellitus, hypertension, obesity, and the like.

  本发明提供了一种用于高脂血症的预防或治疗剂，其活性成分为式[1]所示的杂环化合物或其药学上可接受的盐：R1-Het-D-E [1]其中：R1为任选取代的芳基或芳香性杂环基团，Het为二价芳香性杂环基团，D为亚烷基、亚烯基、亚炔基等，E为羧基等，以及上述式[1]所示杂环化合物中的新型化合物，其具有降低血液甘油三酯、降低LDL-C、降低血糖、降低血液胰岛素、增加HDL-C或降低动脉粥样硬化指数的效果，因此可用于预防或治疗高脂血症、动脉硬化、糖尿病、高血压、肥胖等疾病。
• Preparation of Functionalized Dialkylzincs via a Boron−Zinc Exchange. Reactivity and Catalytic Asymmetric Addition to Aldehydes
  作者：Falk Langer、Lothar Schwink、Arokiasamy Devasagayaraj、Pierre-Yves Chavant、Paul Knochel

  DOI：10.1021/jo961129n

  日期：1996.11.15

  The hydroboration of olefins with Et(2)BH provides diethyl(alkyl)boranes 2 which readily undergo a boron-zinc exchange with Et(2)Zn providing a range of polyfunctional primary, secondary, and benzylic diorganozincs. The resulting diorganozincs 3 have been reacted with various electrophiles (allylic halides, acid chlorides, alkylidenemalonates, ethyl propiolate, nitroolefins) in the presence of CuCN

  烯烃与Et（2）BH的氢硼化反应生成的二乙基（烷基）硼烷2容易与Et（2）Zn进行硼-锌交换，从而提供了一系列多官能的伯，仲和苄基二有机锌。在CuCN.2LiCl存在下，使所得的二有机锌3与各种亲电试剂（烯丙基卤化物，酰氯，亚烷基丙二酸酯，丙酸乙酯，硝基烯烃）反应，具有极好的收率。用由非对映体纯的二乙基（烷基）硼烷制备的仲二烷基锌，发生硼-锌交换而失去立体化学。在手性催化剂55的存在下，将3-不对称地加成到醛中，提供了光学活性的多官能仲醇（50至超过96％ee）。
• On the Intramolecular 1,4-Dipolar Cycloaddition Reaction of Thiazinium Betaines for the Construction of Aza-, Diaza-, and Polyaza-Heterocyclic Ring Systems
  作者：Albert Padwa、Steven J. Coats、Scott R. Harring、Lazaros Hadjiarapoglou、Mark A. Semones

  DOI：10.1055/s-1995-4032

  日期：1995.8

  A series of bicyclic anhydro-4-hydroxy-2-oxo-1,3-thiazinium hydroxides containing tethered π-systems are easily prepared from the reaction of thiolactams with 1,3-bielectrophiles. These cross-conjugated heteroaromatic betaines undergo regio- and stereospecific 1,4-dipolar cycloaddition in good yield to produce cycloadducts containing a carbonyl sulfide bridge which can be induced to lose COS on further heating. Two of the cycloadducts were characterized by single crystal X-ray determinations. Control of ring size in the final product of the cycloaddition can be achieved by variation of the dipolarophilic chain length. Entry to the [6,6,5]- and [6,6,6]pyridone ring systems was possible using phenylalkynyl-substituted thioamides. Intramolecular 1,4-dipolar cycloaddition of a thiazinium betaine dipole also occurs across an indolyl π-bond. With only one substituent group in the 9-position of the bicyclic betaine, the reaction takes an entirely different course unless a highly activated π-bond is incorporated into the tether. The preferred reaction with modestly activated π-systems corresponds to loss of the activated proton to produce an S,N-ketene acetal. When a ketene S,S-acetal group was incorporated onto the side chain, the 1,4-dipolar cycloaddition reaction was facilitated relative to proton loss.

  一系列含有联接π系统的双环无水-4-羟基-2-氧-1,3-噻唑鎓氢氧化物可以通过硫内酰胺与1,3-双电亲体的反应轻松制备。这些交错共轭的杂芳香族贝塔因在良好的产率下经历区域性和立体特异性的1,4-偶极环加成，生成含有羰基硫桥的环加成物，在进一步加热时可以诱导失去COS。通过单晶X射线测定对其中两个环加成物进行了表征。通过改变偶极亲核链的长度，可以控制环加成反应最终产物的环大小。使用苯基炔基取代的硫氨基可以实现对[6,6,5]-和[6,6,6]吡啶酮环系的导入。噻唑鎓贝塔因偶极的环内1,4-偶极环加成也发生在吲哚的π键上。在双环贝塔因的9位仅有一个取代基时，反应的路径会完全不同，除非在连结中加入一个高度活化的π键。与适度活化的π系统的优选反应对应于活化质子的失去，从而生成S,N-烯酮缩醛。当在侧链上引入烯酮S,S-缩醛基时，相较于质子失去，1,4-偶极环加成反应得以促进。