2-ethyl-N-methoxy-N-methylbutanamide

• 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
• 英文名称: 2-ethyl-N-methoxy-N-methylbutanamide
• 化学式: C₈H₁₇NO₂
• mdl: MFCD14707573
• 分子量: 159.228
• InChiKey: HCUMFFMWWXUKIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-ethyl-N-methoxy-N-methylbutanamide 在 N,N'-carbonyl diimidazole 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 3,7-diethylnonane-4,6-dione
  参考文献：
  名称：

  3,7-二乙基壬烷-4,6-二酮的制备方法

  摘要：

  本发明提供3,7‑二乙基壬烷‑4,6‑二酮的制备方法，属于化合物制备方法技术领域，本发明将苯并三氮唑与2‑乙基丁酰氯反应得到1‑苯并三氮唑‑2‑乙基‑1‑丁酮，然后将2‑乙基丁酸和N,N'‑羰基二咪唑反应体系与二甲羟胺盐酸盐和三乙胺反应体系混合搅拌，反应得2‑乙基‑N‑甲氧基‑N‑甲基丁酰胺，该反应物在低温条件与甲基溴化镁反应得3‑乙基‑2‑戊酮，将1‑苯并三氮唑‑2‑乙基‑1‑丁酮与催化剂溶解于溶剂中，缓慢滴加3‑乙基‑2‑戊酮，室温搅拌，经后处理得到目标产物3,7‑二乙基壬烷‑4,6‑二酮。本发明具有原料易得、制备成本低、产品收率高，操作简单的优点。

  公开号：

  CN109553517A
• 作为产物：
  描述：

  二乙基丙二酸 在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-ethyl-N-methoxy-N-methylbutanamide
  参考文献：
  名称：

  1,1'-羰基二咪唑对丙二酸衍生物的轻度脱羧活化

  摘要：

  丙二酸衍生物在室温下用N，N'-羰基二咪唑（CDI）处理时，会异常温和地脱羧，从而以高收率生成羰基咪唑部分，可以在有效的一锅法中与各种亲核试剂进一步反应。

  DOI：

  10.1021/ol200575c

文献信息

• TARGETED NITROXIDE AGENTS
  申请人：Wipf Peter

  公开号：US20100035869A1

  公开（公告）日：2010-02-11

  Provided herein are compositions and related methods useful for free radical scavenging, with particular selectivity for mitochondria. The compounds comprise a nitroxide-containing group attached to a mitochondria-targeting group. The compounds can be cross-linked into dimers without loss of activity. Also provided herein are methods, for preventing, mitigating and treating damage caused by radiation. The method comprises delivering a compound, as described herein, to a patient in an amount and dosage regimen effective to prevent, mitigate or treat damage caused by radiation.

  本文提供了一种对自由基清除有用的组合物和相关方法，具有特定选择性作用于线粒体。这些化合物包括一个连接到线粒体靶向基团的亚硝基含有基团。这些化合物可以交联成二聚体而不丧失活性。本文还提供了一种用于预防、缓解和治疗辐射引起的损伤的方法。该方法包括向患者输送一种如本文所述的化合物，以有效地预防、缓解或治疗辐射引起的损伤。
• Copper(I)-Catalyzed Enantioselective Nucleophilic Borylation of Aliphatic Ketones: Synthesis of Enantioenriched Chiral Tertiary α-Hydroxyboronates
  作者：Koji Kubota、Shun Osaki、Mingoo Jin、Hajime Ito

  DOI：10.1002/anie.201702826

  日期：2017.6.1

  A new method was developed for the first catalytic enantioselective borylation of aliphatic ketones. A variety of substrates reacted efficiently with bis(pinacolato)diboron in the presence of a copper(I)/chiral N-heterocyclic carbene complex catalyst to furnish optically active tertiary α-hydroxyboronates with moderate to high enantioselectivities (up to 94 % ee). Notably, the product could be converted

  开发了一种新的方法，用于脂族酮的首次催化对映选择性硼化。多种底物在铜（I）/手性N-杂环卡宾络合物催化剂的存在下与双（频哪醇）二硼有效反应，以提供具有中等至高对映选择性（最高94％ee）的光学活性叔α-羟基硼酸酯。值得注意的是，可以使用立体特异性硼官能化方法将产物转化为手性叔醇衍生物。还描述了对映选择性机理的理论研究。
• The Sex Attractant Pheromone of Male Brown Rats: Identification and Field Experiment
  作者：Stephen Takács、Regine Gries、Huimin Zhai、Gerhard Gries

  DOI：10.1002/anie.201511864

  日期：2016.5.10

  Trapping brown rats is challenging because they avoid newly placed traps in their habitat. Herein, we report the identification of the sex pheromone produced by male brown rats and its effect on trap captures of wild female brown rats. Collecting urine‐ and feces‐soiled bedding material of laboratory‐kept rats and comparing the soiled‐bedding odorants of juvenile and adult males, as well as of adult

  诱捕棕色老鼠具有挑战性，因为它们避免了在栖息地中新近放置的陷阱。在此，我们报告了雄性棕色大鼠产生的性信息素的鉴定及其对野生雌性棕色大鼠陷阱捕获的影响。收集实验室保存的老鼠的尿液和粪便污染的被褥材料，比较未成年雄性和成年雄性以及成年雄性和雌性的被褥臭味，我们发现了九种特定于或最常见的化合物，性成熟成年男性的气味特征。当我们将这六种化合物的合成混合物（2-庚酮，4-庚酮，3-乙基-2-庚酮，2-辛酮，2-壬酮，4-壬酮）添加到两个成对的食物诱捕盒之一中时，这些盒子在实验室实验中吸引了更多的实验室应变雌性大鼠，并且在野外实验中捕获的野生雌鼠比相应的对照组多十倍。我们的数据表明信息素有助于捕获野生雌性棕色大鼠。
• New Diarylmethylpiperazines as Potent and Selective Nonpeptidic δ Opioid Receptor Agonists with Increased In Vitro Metabolic Stability
  作者：Niklas Plobeck、Daniel Delorme、Zhong-Yong Wei、Hua Yang、Fei Zhou、Peter Schwarz、Lars Gawell、Hélène Gagnon、Benjamin Pelcman、Ralf Schmidt、Shi Yi Yue、Christopher Walpole、William Brown、Edward Zhou、Maryse Labarre、Kemal Payza、Stephane St-Onge、Augustus Kamassah、Pierre-Emmanuel Morin、Denis Projean、Julie Ducharme、Edward Roberts

  DOI：10.1021/jm000228x

  日期：2000.10.1

  Nonpeptide delta opioid agonists are analgesics with a potentially improved side-effect and abuse liability profile, compared to classical opioids. Andrews analysis of the NIH nonpeptide lead SNC-80 suggested the removal of substituents not predicted to contribute to binding. This approach led to a simplified lead, N,N-diethyl-4-[phenyl( 1-piperazinyl)methyl]benzamide (1), which retained potent binding affinity and selectivity to the human delta receptor (IC50 = 11 nM, mu/delta = 740, kappa/delta > 900) and potency as a full agonist (EC50 = 36 nM) but had a markedly reduced molecular weight, only one chiral center, and increased in vitro metabolic stability. From this lead, the key pharmacophore groups for delta receptor affinity and activation were more clearly defined by SAR and mutagenesis studies. Further structural modifications on the basis of 1 confirmed the importance of the N,N-diethylbenzamide group and the piperazine lower basic nitrogen for delta binding, in agreement with mutagenesis data. A number of piperazine N-alkyl substituents were tolerated. In contrast, modifications of the phenyl group led to the discovery of a series of diarylmethylpiperazines exemplified by N,N-diethyl-4-[1-piperazinyl(8-quinolinyl)- methyl]benzamide (56) which had an improved in vitro binding profile (IC50 = 0.5 nM, mu/delta = 1239, EC50 = 3.6 nM) and increased in vitro metabolic stability compared to SNC-80.
• Regiospecific Synthesis of 3-Substituted 5-Alkylisoxazoles from Oxime Dianions and N-Methoxy-N-Methylalkylamides
  作者：Theodore J. Nitz、Deborah L. Volkots、David J. Aldous、Richard C. Oglesby

  DOI：10.1021/jo00098a054

  日期：1994.9