N-(2-氧代丙基)乙酰胺 | 7737-16-8

• 物质功能分类: 香精与香料 - 合成香料 - 酮类香料
• 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-(2-氧代丙基)乙酰胺
• 中文别名: 1-乙酰氨基乙酮；1-(乙酰氨基)-2-丙酮
• 英文名称: N-acetamidoacetone
• 英文别名: acetamidoacetone；Acetamidoaceton；N-Acetylaminoaceton；N-(2-Oxopropyl)acetamide
• CAS: 7737-16-8
• 化学式: C₅H₉NO₂
• 分子量: 115.132
• InChiKey: SICIPBMLFSQZEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  38-41℃
• 沸点：
  284℃
• 密度：
  1.008

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319
• 储存条件：
  室温下保存，避光、干燥且密封。

反应信息

• 作为反应物：
  描述：

  N-(2-氧代丙基)乙酰胺 在 aluminum oxide 、 硫酸 、 硫化氢 、 乙酸酐 作用下， 生成 2,5-二甲基噻唑
  参考文献：
  名称：

  Jur'ew; Shukowa, Zhurnal Obshchei Khimii, 1958, vol. 28, p. 7,10; engl. Ausg. S. 5, 7

  摘要：

  DOI：
• 作为产物：
  描述：

  3-(2-Methyl-oxazol-4-yl)-3-oxo-propionic acid ethyl ester 在 sodium hydroxide 作用下， 反应 46.0h， 以40%的产率得到N-(2-氧代丙基)乙酰胺
  参考文献：
  名称：

  A reinvestigation of the condensation of 2-methyl-4-carbethoxyoxazole with ethyl acetate

  摘要：

  DOI：

  10.1021/jo00136a037

文献信息

• Water-Soluble Gold-N-Heterocyclic Carbene Complexes for the Catalytic Homogeneous Acid- and Silver-Free Hydration of Hydrophilic Alkynes
  作者：Houssein Ibrahim、Pierre de Frémont、Pierre Braunstein、Vincent Théry、Lionel Nauton、Federico Cisnetti、Arnaud Gautier

  DOI：10.1002/adsc.201500729

  日期：2015.12.14

  Water-soluble gold(III/I) N-heterocylic carbene complexes behave as efficient catalysts for the hydration of terminal alkynes in neat water. The transformation proceeds in the absence of Brønsted acids or halide scavengers and is suitable for sensitive substrates. Kinetic profiles and DFT studies provide a clear picture of intermediates present during catalysis.

  水溶性金（III / I）N-杂环卡宾配合物可作为纯净水中末端炔烃水合的有效催化剂。在不存在布朗斯台德酸或卤化物清除剂的情况下进行转化，适用于敏感底物。动力学曲线和DFT研究提供了催化过程中存在的中间体的清晰图片。
• [EN] HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOQUINOLINONE SUBSTITUÉS PAR UN HYDROXY
  申请人：NOVARTIS AG

  公开号：WO2012175520A1

  公开（公告）日：2012-12-27

  The invention relates to compounds of formula (I): as defined in the application. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  这项发明涉及以下公式（I）的化合物：如申请中所定义。这些化合物适用于治疗由MDM2和/或MDM4的活性或其变体介导的疾病或疾病。
• Pyrrolobenzoxazines, pyrrolobenzothiazines and process therefor
  申请人：Ayerst McKenna and Harrison Ltd.

  公开号：US04035495A1

  公开（公告）日：1977-07-12

  4H-Pyrrolo[2,1-c][1,4]benzoxazines and 4H-pyrrolo[2,1-c]-[1,4]benzothiazines characterized by having an alkylamine substituent at position 4 are disclosed. The compounds are characterized further by having an alkyl substituent on the same carbon atom bearing the alkylamine substituent. In addition the compounds may be optionally substituted at positions 1 and 6 to 9. Also disclosed are 4H-pyrrolo-[2,1-c][1,4]benzoxazines and 4H-pyrrolo[2,1-c][1,4]benzothiazines which are dialkylated at position 4 and have a methylamino substituent at position 1. The foregoing compounds possess antihypertensive and central nervous system depressant activity and methods for their preparation and use are described.

  揭示了在位置4处具有烷基胺取代基的4H-吡咯并[2,1-c][1,4]苯并氧嗪和4H-吡咯并[2,1-c]-[1,4]苯并噻嗪。这些化合物还具有在同一碳原子上带有烷基取代基的特征。此外，这些化合物可能在位置1和6至9处被选择性取代。还揭示了在位置4处被二烷基化且在位置1处具有甲基氨基取代基的4H-吡咯并[2,1-c][1,4]苯并氧嗪和4H-吡咯并[2,1-c][1,4]苯并噻嗪。上述化合物具有降压和中枢神经抑制活性，并描述了它们的制备和使用方法。
• Pyranoindole derivatives as antiulcer agents
  申请人：Ayerst McKenna and Harrison Ltd.

  公开号：US04066780A1

  公开（公告）日：1978-01-03

  Pyranoindole and thiopyranoindole derivatives characterized by having an amino(lower)alkyl radical attached to either or both the 1 and 9 position of a pyrano[3,4-b]indole or thiopyrano[3,4-b]indole nucleus or having said radical attached to the 1 position of a pyrano[4,3-b]indole or thiopyrano[4,3-b]indole nucleus are disclosed. The amino portion of the amino(lower)alkyl radical may be further substituted with one or two lower alkyl groups or incorporated into a heterocyclic amine radical. The derivatives having the amino(lower)alkyl radical only at position 1 are further substituted at position 1 and may be optionally substituted at positions 3,4,5,6,7,8, and 9. The pyrano[3,4-b]indole or thiopyrano[3,4-b]indole derivatives having the amino(lower)alkyl radical only at position 9 possess two substitutents at position 1 and may be optionally substituted at position 3,4,5,6,7, and 8; the derivatives having an amino(lower)alkyl radical at both positions 1 and 9 are further substituted at position 1 and may be optionally substituted at positions 3,4,5,6,7 and 8. The pyrano-and thiopyranoindole derivatives of this invention are useful antidepressant and antiulcer agents. Methods for the preparation and use of these derivatives are also disclosed.

  Pyranoindole和thiopyranoindole衍生物的特征在于在pyrano[3,4-b]indole或thiopyrano[3,4-b]indole核的1和9位置之一或两者上附加有氨基(较低)烷基基团，或者在pyrano[4,3-b]indole或thiopyrano[4,3-b]indole核的1位置上附加有该基团。氨基(较低)烷基基团的氨基部分可能进一步被一个或两个较低烷基基团取代，或者被并入一个杂环胺基团。只在位置1具有氨基(较低)烷基基团的衍生物在位置1进一步被取代，并且可以选择在位置3,4,5,6,7,8和9处被取代。只在位置9具有氨基(较低)烷基基团的pyrano[3,4-b]indole或thiopyrano[3,4-b]indole衍生物在位置1处具有两个取代基，并且可以选择在位置3,4,5,6,7和8处被取代；在位置1和9处都具有氨基(较低)烷基基团的衍生物在位置1处进一步被取代，并且可以选择在位置3,4,5,6,7和8处被取代。本发明的pyrano和thiopyranoindole衍生物可用作抗抑郁和抗溃疡剂。还公开了这些衍生物的制备和使用方法。
• Synthesis of α-Aminocarbonyl Compounds via Hetero Diels–Alder Reaction
  作者：Masayoshi Sakurai、Nobuhiro Kihara、Nobuhiro Watanabe、Yoshihiro Ikari、Toshikazu Takata

  DOI：10.1246/cl.170970

  日期：2018.2.5

  A synthetic route to α-aminoketone derivatives via a hetero Diels–Alder reaction is described. Diacylhydrazine was oxidized by tert-butyl hypochlorite in the presence of pyridine. After evaporation, the hetero Diels–Alder reaction with diene was carried out without isolation of the azodicarbonyl compound. Quantitative hetero Diels–Alder reaction was possible with 1 equivalent of diene when Hf(OTf)4

  描述了通过杂 Diels-Alder 反应合成 α-氨基酮衍生物的途径。二酰基肼在吡啶存在下被次氯酸叔丁酯氧化。蒸发后，在不分离偶氮二羰基化合物的情况下进行与二烯的杂狄尔斯-阿尔德反应。当使用 Hf(OTf)4 或 AgOTf 作为催化剂时，使用 1 当量的二烯可以进行定量的杂 Diels-Alder 反应。产物的 N-N 键在 THF 中叔丁醇存在下通过 SmI2 还原被裂解。此外，C=C 双键的臭氧分解以优异的产率提供了 α-氨基酮衍生物。