丙戊酸杂质6 | 30379-04-5

• 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: 丙戊酸杂质6
• 英文名称: diethyl ethoxymethylenemalonate
• 英文别名: diethyl 2-(methoxymethyl)malonate；methoxymethyl-malonic acid diethyl ester；Methoxymethyl-malonsaeure-diaethylester；β-Methoxy-isobernsteinsaeure-diaethylester；Propanedioic acid, (methoxymethyl)-, diethyl ester；diethyl 2-(methoxymethyl)propanedioate
• CAS: 30379-04-5
• 化学式: C₉H₁₆O₅
• 分子量: 204.223
• InChiKey: YMCFEHCCMXDRSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  丙戊酸杂质6 在 lithium aluminium tetrahydride 作用下， 生成 2-(methoxymethyl)propane-1,3-diol
  参考文献：
  名称：

  Musso,H. et al., Chemische Berichte, 1967, vol. 100, p. 3614 - 3624

  摘要：

  DOI：
• 作为产物：
  描述：

  sodium diethylmalonate 、 氯甲基甲基醚 在 苯 作用下， 生成 丙戊酸杂质6
  参考文献：
  名称：

  Fischer; Nenitzescu, Justus Liebigs Annalen der Chemie, 1925, vol. 443, p. 128

  摘要：

  DOI：

文献信息

• Preparation of Diethyl 2-Alkoxymethyl-, 2-Phenylselenomethyl-and 2-Phenylthiomethylmalonate
  作者：Jean-Louis Delépine、Pascal Pecquet、Marie-christine Betton、François Huet

  DOI：10.1080/00397919608005216

  日期：1996.8

  Abstract Title compounds were obtained either by alkylation of the sodium derivative of diethyl malonate or by the conjugate addition to diethyl methylenemalonate 4. When reactions with 4 were run in basic medium two successive Michael additions occured.

  摘要 通过丙二酸二乙酯的钠衍生物的烷基化或通过与亚甲基丙二酸二乙酯4的共轭加成获得标题化合物。当与4在碱性介质中进行反应时，发生了两次连续的迈克尔加成。
• Structure and Chemistry of Malonylmethyl- and Succinyl-Radicals. The search for homolytic 1,2-rearrangements
  作者：Urs Aeberhard、Reinhart Keese、Erich Stamm、Ulrich-Christian Vögeli、Willy Lau、Jay Kazuo Kochi

  DOI：10.1002/hlca.19830660843

  日期：1983.12.14

  Malonylmethyl radical I [· CH2CH(COOEt)2] and its thioester analogue II [· CH2CH(COOEt) (COSEt)] were generated by standard photolytic and thermolytic methods from perester and bromo precursors. The structures of I and II were examined by ESR spectroscopy and found to exist in preferred conformations. However, no indication for their rearrangement by 1,2-shift of either an ethoxycarboxyl or (ethylthio)carbonyl

  丙二酰基甲基基团I [·CH 2 CH（COOEt）2 ]及其硫代酯类似物II [·CH 2 CH（COOEt）（COSEt）]是通过标准的光解法和热解法从过酸酯和溴代前体生成的。通过ESR光谱检查了I和II的结构，发现它们以优选的构象存在。然而，没有迹象表明它们通过乙氧基羧基或（乙硫基）羰基的1，2-转移到相应的琥珀酰基基团III和IV而重排。分别在低于-40°C的温度下发现。在高达140°C的较高温度下，通过对过酸酯分解进行彻底的产物分析，研究了丙二酰甲基琥珀酰重排的过程。有证据表明，在130°C的氯苯中，通过光解作用将I - III自由基重排，通过在130°C下热解将II - IV自由基重排。
• [EN] SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN<br/>[FR] UTILISATION D'HETEROCYCLES AMINES A SIX ELEMENTS CONTENANT DE L'AZOTE SUBSTITUES COMME ANTAGONISTES DU RECEPTEUR VANILLOIDE DE TYPE 1 POUR LE TRAITEMENT DE LA DOULEUR
  申请人：MERCK SHARP & DOHME

  公开号：WO2005047279A1

  公开（公告）日：2005-05-26

  The present invention provides a compound of formula (I): Y-J-NH-Z wherein: Y is a quinoline or isoquinoline optionally substituted with one or two substituents independently chosen from hydroxy, halogen, haloC1-4alkyl, C1-4alkyl, C1-4alkoxy, haloC1-4alkoxy, nitro and amino; J is pyridine, pyridazine, pyrazine, pyrimidine or triazine optionally substituted with one or two substituents independently chosen from hydroxy, halogen, haloC1-4alkyl, C1-4alkyl, C3-5cycloalkyl, C1-4alkoxy, hydroxyC1- 4alkyl, cyano, hydroxy, C1-4cycloalkoxy, C1-4alkylthio, haloC1-4alkoxy, nitro, Q, (CH2)pQ, NR2R3, -(CH2)pNR2R3 and -O(CH2)pNR2R3; wherein J is substituted at positions meta to each other by NH and Y; and Z is phenyl or pyridyl optionally substituted with one or two substituents independently selected from halogen, haloC1-4alkyl, C1-4alkyl, C1-4alkoxy, haloC1-4alkoxy, nitro and amino; Q is phenyl, a five-membered heterocyclic ring containing one, two, three or four heteroatoms chosen from O, N and S, at most one heteroatom being O or S, or a six-membered heterocyclic ring containing one, two or three nitrogen atoms, optionally substituted by C1-4alkyl; each R2 and R3 is chosen from H and C1-4alkyl, or R2 and R3, together with the nitrogen atom to which they are attached, may form a six-membered ring optionally containing an oxygen atom or a further nitrogen atom, which ring is optionally substituted by C1-4alkyl or Q; p is 1, 2 or 3; or a pharmaceutically acceptable salt thereof; pharmaceutical compositions comprising it; its use in methods of therapy; use of it for manufacturing medicaments; and methods of using it to treat diseases requiring administration of a VR1 antagonist such as pain, cough, GERD and depression.

  本发明提供了一种化合物，其化学式为（I）：Y-J-NH-Z，其中：Y为喹啉或异喹啉，可选地取代为一个或两个从羟基、卤素、卤代C1-4烷基、C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、硝基和氨基中独立选择的取代基；J为吡啶、吡啶嗪、吡嗪、嘧啶或三嗪，可选地取代为一个或两个从羟基、卤素、卤代C1-4烷基、C1-4烷基、C3-5环烷基、C1-4烷氧基、羟基C1-4烷基、氰基、羟基、C1-4环烷氧基、C1-4烷基硫氧基、卤代C1-4烷氧基、硝基、Q、（CH2）pQ、NR2R3、-（CH2）pNR2R3和-O（CH2）pNR2R3中独立选择的取代基；其中J在相对于NH和Y的位置上被取代；Z为苯基或吡啶基，可选地取代为一个或两个从卤素、卤代C1-4烷基、C1-4烷基、C1-4烷氧基、卤代C1-4烷氧基、硝基和氨基中独立选择的取代基；Q为苯基，含有一个、两个、三个或四个从O、N和S中选择的杂原子的五元杂环，最多一个杂原子为O或S，或含有一个、两个或三个氮原子的六元杂环，可选地取代为C1-4烷基；每个R2和R3从H和C1-4烷基中选择，或R2和R3，连同它们连接的氮原子，可形成一个含有氧原子或进一步氮原子的六元环，该环可选地取代为C1-4烷基或Q；p为1、2或3；或其药学上可接受的盐；包含它的药物组合物；其在治疗方法中的使用；用于制造药物的使用；以及使用它治疗需要VR1拮抗剂（如疼痛、咳嗽、胃食管反流病和抑郁症）的疾病的方法。
• Reputation Effects and the Limits of Contracting: A Study of the Indian Software Industry*
  作者：Abhijit V. Banerjee、Esther Duflo

  DOI：10.1162/003355300554962

  日期：2000.8

  This paper examines evidence of the role that reputation plays in determining contractual outcomes. We conduct an empirical analysis of the Indian customized software industry, using a data set we collected containing detailed information on 230 projects carried out by 125 software firms. We propose a model ofthe industry where reputation determines contractual outcomes. The evidence supports the view that reputation matters. Ex ante contracts, as well as the outcome after ex post renegotiation, vary with firms' characteristics plausibly associated with reputation. This holds after controlling for project, client, and firm characteristics.

  本文研究了声誉在确定合同结果中的作用。我们对印度定制软件行业进行了实证分析，使用了我们收集的数据集，该数据集包含125家软件公司完成的230个项目的详细信息。我们提出了一个行业模型，其中声誉决定合同结果。证据支持声誉的重要性。事前合同以及事后重新谈判的结果，因与声誉可能相关的公司特征而有所不同。在控制项目、客户和公司特征后，这种趋势依然成立。
• Formal Total Synthesis of (±)-Strictamine by [2,3]-Sigmatropic Stevens Rearrangements
  作者：Ruben Eckermann、Michael Breunig、Tanja Gaich

  DOI：10.1002/chem.201605361

  日期：2017.3.17

  processes that mostly trigger rearrangements of the methanoquinolizidine motif. The family of the akuammiline alkaloids is best represented by strictamine. It bears the least functionalized carbon skeleton of all family members without lacking the signature structural motifs. Herein, we report the formal synthesis of strictamine through a Stevens [2,3]‐sigmatropic rearrangement as a key step and the synthetic

  迄今为止，已经分离出了100多个阿库米林生物碱家族的同源物。它们的标志性结构元素是甲亚甲基喹唑烷部分，这是一种与金刚烷在结构上相关的笼状支架。该家族成员的结构变异来自氧化过程，该氧化过程主要触发了甲基喹啉嗪基序的重排。akuammiline生物碱家族最好以严格胺为代表。它具有所有家族成员中功能化程度最低的碳骨架，且不缺少标志性的结构图案。在本文中，我们报告了通过史蒂文斯[2,3]-σ重排作为关键步骤进行的正丁胺的正式合成，以及与合成有关的合成陷阱。