N-丁基-2-氧代丙酰胺 | 98435-83-7

• 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: N-丁基-2-氧代丙酰胺
• 英文名称: N-butyl-1,2-dioxopropylamine
• 英文别名: N-butyl-2-oxopropanamide；Brenztraubensaeure-butylamid
• CAS: 98435-83-7
• 化学式: C₇H₁₃NO₂
• mdl: MFCD19218481
• 分子量: 143.186
• InChiKey: XHRVIJZMIOHWHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-丁基-2-氧代丙酰胺 、 丙炔酸乙酯 在 samarium diiodide 、 叔丁醇 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以58%的产率得到(E)-4-Butylcarbamoyl-4-hydroxy-pent-2-enoic acid ethyl ester
  参考文献：
  名称：

  由 SmI2 介导的 4-羟基-(E)-2-烯酸酯的简单合成

  摘要：

  通过SmI2以分子间方式将酮与丙炔酸酯偶联反应，在0 °C的THF-t-BuOH中获得了4-羟基-(E)-2-烯酸酯，产率为中等到良好。

  DOI：

  10.1055/s-2001-13391
• 作为产物：
  描述：

  (1Z)-N-丁基-2-氧代亚氨代丙酰氯 在 水 作用下， 生成 N-丁基-2-氧代丙酰胺
  参考文献：
  名称：

  Ugi,I.; Fetzer,U., Chemische Berichte, 1961, vol. 94, p. 1116 - 1121

  摘要：

  DOI：

文献信息

• Characterization of directly acting mutagens produced from N-nitroso-N-(formylmethyl)alkylamines: Their possible involvement in the carcinogenesis of N-nitrosamines having a 2-hydroxyethyl group.
  作者：EMAKO SUZUKI、MARIKO OSABE、MASATAKA MOCHIZUKI、YUKO WAKABAYASHI、MASASHI OKADA

  DOI：10.1248/cpb.35.4022

  日期：——

  Directly acting mutagens formed from N-nitroso-N- (formylmethyl) alkylamines (3) were isolated and identified as N-nitroso-N-alkyl-1-hydroxyimino-2-oxoethylamines (4). Their structures were elucidated on the basis of nuclear magnetic resonance spectra and confirmed by derivatization to the crystalline 2, 4-dinitrophenylhydrazones (5). Compounds 4 (alkyl =ethyl and butyl) were strongly mutagenic to Salmonella typhimurium TA 1535 and Escherichia coli WP2 hcr- without metabolic activation, while 4 with a tert-butyl group was not mutagenic. The formation of 4 is considered to proceed by the nitrosation of 3, indicating a possible involvement of the formylmethyl metabolite in carcinogenesis by N-nitrosamines with a 2-hydroxyethyl group.

  从 N-亚硝基-N-（甲酰基甲基）烷基胺（3）中分离出直接作用的诱变剂，并确定其为 N-亚硝基-N-烷基-1-羟基亚氨基-2-氧代乙胺（4）。根据核磁共振波谱阐明了它们的结构，并通过衍生成结晶的 2，4-二硝基苯肼（5）得到了证实。化合物 4（烷基=乙基和丁基）对鼠伤寒沙门氏菌 TA 1535 和大肠杆菌 WP2 hcr- 具有强烈的致突变性，而带有叔丁基的 4 则没有致突变性。4 的形成被认为是通过 3 的亚硝基化进行的，这表明带有 2-羟乙基的 N-亚硝胺可能参与了甲酰基甲基代谢物的致癌过程。
• Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles
  作者：Dong Wang、Linna Li、Hairong Feng、Hua Sun、Fabrice Almeida-Veloso、Marine Charavin、Peng Yu、Laurent Désaubry

  DOI：10.1039/c8gc00987b

  日期：——

  An efficient synthesis of fully substituted 2,3-dihydropyrroles has been achieved in one step through the three-component reaction of amines, aromatic aldehydes and α-ketoamides. This atom-economical and catalyst-free reaction is highly stereoselective and generates underexplored heterocycles in a single step. These compounds were examined in an enzymatic assay that led to the identification of potent

  通过胺，芳族醛和α-酮酰胺的三组分反应，一步就实现了全取代2,3-二氢吡咯的有效合成。这种无原子经济且无催化剂的反应具有高度的立体选择性，并在单个步骤中生成未开发的杂环。在酶促测定中检查了这些化合物，从而鉴定出了有效的α-葡萄糖苷酶抑制剂，从而证明了这种新方法在药物化学中的实用性。
• Compounds specific to adenosine A1 receptors and uses thereof
  申请人：Castelhano L. Arlindo

  公开号：US20080070936A1

  公开（公告）日：2008-03-20

  This invention pertains to compounds which specifically inhibit the adenosine A 1 receptor and the use of these compounds to treat a disease associated with A 1 adenosine receptors in a subject.

  本发明涉及特异性抑制腺苷A1受体的化合物，并使用这些化合物治疗与A1腺苷受体在受体中相关的疾病。
• Pyrrolo[2,3d]pyrimidine compositions and their use
  申请人：Castelhano Arlindo L.

  公开号：US20090082369A1

  公开（公告）日：2009-03-26

  This invention pertains to compounds having the structure: wherein R 1 and R 2 together form a substituted or unsubstituted heterocyclic ring; R 3 is a substituted or unsubstituted aryl moiety; R 4 is a hydrogen atom, an unsubstituted alkyl, or a substituted or unsubstituted aryl moiety; and R 5 and R 6 are each independently a halogen atom, a hydrogen atom or a substituted or unsubstituted alkyl, aryl, or alkylaryl moiety, or a pharmaceutically acceptable salt thereof, and the use of these compounds to treat a disease associated with increased levels of adenosine in a subject.

  本发明涉及具有以下结构的化合物：其中R1和R2共同形成取代或未取代的杂环；R3是取代或未取代的芳基基团；R4是氢原子，未取代的烷基或取代或未取代的芳基基团；R5和R6分别独立地是卤素原子，氢原子或取代或未取代的烷基、芳基或烷基芳基基团，或其药学上可接受的盐，并使用这些化合物治疗与受试者中腺苷水平增加相关的疾病。
• Photoimageable compositions having improved chemical resistance and stripping ability
  申请人：Shipley Company LLC

  公开号：EP1008912A1

  公开（公告）日：2000-06-14

  A negative-acting photoimageable composition useful as a primary imaging resist in the manufacture of printed circuit boards comprises an acid-functional binder polymer, a photopolymerizable component, and a photoinitiator chemical system, in which the binder polymer has an anhydride functional backbone half-esterified with a meth(acrylate) functional hydroxy-terminated oligomer, wherein the meth(acrylate) functionality is separated from the half-ester linkage by at least two alkoxylate groups and at least one ring opened lactone group for improved stripping ability in strong alkaline aqueous stripping solutions, while maintaining good chemical resistance to other processing chemicals, such as alkaline developing solutions, acid etching solutions, and acid plating baths.

  一种可负作用光成像组合物，可用作印刷电路板制造过程中的主成像抗蚀剂，该组合物由酸官能团粘合剂聚合物、可光聚合组分和光引发剂化学体系组成，其中粘合剂聚合物具有与甲基（丙烯酸酯）官能团羟基封端低聚物半酯化的酸酐官能团骨架、其中甲基丙烯酸酯官能团通过至少两个烷氧基官能团和至少一个开环内酯官能团与半酯连接分开，以提高在强碱性水性剥离溶液中的剥离能力，同时保持对其他加工化学品（如碱性显影液、酸性蚀刻溶液和酸性电镀液）的良好耐化学性。