Ethylmalonsaeuremonoanilidmonomethylester | 16647-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethylmalonsaeuremonoanilidmonomethylester
• 英文别名: ethyl 2-(phenylcarbamoyl)butanoate；2-ethyl-N-phenyl-malonamic acid ethyl ester；2-Aethyl-N-phenyl-malonamidsaeure-aethylester；Aethylmalonsaeure-aethylester-anilid
• CAS: 16647-73-7
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: XGXJJHKGKFQZEN-UHFFFAOYSA-N

物化性质

• 沸点：
  400.0±28.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethylmalonsaeuremonoanilidmonomethylester 在 五氯化磷 、 苯 作用下， 生成 2-(1-phenyl-1H-tetrazol-5-yl)-butyric acid ethyl ester
  参考文献：
  名称：

  Studies in Tetrazole Chemistry. IV. Tetrazolylacetic Acids and Esters¹

  摘要：

  DOI：

  10.1021/jo01109a013
• 作为产物：
  描述：

  monoethyl DL-ethyl-malonate 在 乙醚 、 五氯化磷 作用下， 生成 Ethylmalonsaeuremonoanilidmonomethylester
  参考文献：
  名称：

  Staudinger; Bereza, Chemische Berichte, 1909, vol. 42, p. 4914

  摘要：

  DOI：

文献信息

• [EN] PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES<br/>[FR] PYRANO-QUINOLEINES, PYRANO-QUINOLINONES, LEURS COMBINAISONS, ET COMPOSITIONS ET ARTICLES PHOTOCHROMES
  申请人：TRANSITIONS OPTICAL INC

  公开号：WO2005061514A1

  公开（公告）日：2005-07-07

  Described are compositions of at least one material represented by a pyrano[3,2-c]quinoline structure, a pyrano[3,2-c]quinolinone structure or mixtures thereof. The pyrano[3,2-c]quinoline structure is characterized by having a nitrogen atom at the 6-position ring atom and an oxy-substituent at the 5-position ring atom. The pyrano[3,2-c]quinolinone structure is characterized by having a substituted nitrogen atom at the 6-position ring atom and an oxo-substituent at the 5-position ring atom, the nitrogen atom substituents being hydrogen, aliphatic substituents, cycloaliphatic substituents, aromatic substituents, heteroaromatic substituents or a combination thereof. Both of the pyrano[3,2-c]quinoline and pyrano[3,2-c]quinolinone structures are characterized by having two substituents at the 2-position ring atom, each substituent being independently chosen from aliphatic substituents, cycloaliphatic substituents, aromatic substituents, heteroaromatic substituents or a combination thereof, provided that both substituents at the 2-position are not aliphatic. Alternatively, the two substituents at the 2-position can combine to form a spirocyclic group, provided that the spirocyclic group is not norbornylidene or bicyclo[3.3.1]9-nonylidene. The ring atoms have been numbered according to the International Union of Pure and Applied Chemistry rules of nomenclature starting with the 1-position ring atom being the oxygen atom of the pyran ring and numbering counterclockwise therefrom. Also described are photochromic articles that contain or that have coatings or films containing at least one of the novel compositions or combinations thereof with other photochromic materials.

  描述了由吡喃并[3,2-c]喹啉结构、吡喃并[3,2-c]喹啉酮结构或它们的混合物表示的至少一种材料的组合物。吡喃并[3,2-c]喹啉结构的特征是在6位环原子处有一个氮原子和在5位环原子处有一个氧基取代物。吡喃并[3,2-c]喹啉酮结构的特征是在6位环原子处有一个取代的氮原子和在5位环原子处有一个氧基取代物，氮原子的取代物是氢、脂肪取代物、环脂取代物、芳香取代物、杂芳取代物或它们的组合。吡喃并[3,2-c]喹啉和吡喃并[3,2-c]喹啉酮结构的特征是在2位环原子处有两个取代基，每个取代基独立地选择自脂肪取代物、环脂取代物、芳香取代物、杂芳取代物或它们的组合，前提是2位处的两个取代基不是脂肪取代物。或者，2位处的两个取代基可以结合形成一个螺环烷基团，前提是螺环烷基团不是去甲基环戊烯基或双环[3.3.1]9-壬烯基。根据国际纯粹与应用化学联合会的命名规则，环原子已经编号，从吡喃环的氧原子作为1位环原子开始，逆时针编号。还描述了包含或含有至少一种新型组合物或与其他光致变色材料的组合物的光致变色物品的涂层或薄膜。
• Synthesis of pyrrolidin-2-ones via tandem reactions of vinyl sulfonium salts under mild conditions
  作者：Chunsong Xie、Deyu Han、Yue Hu、Jinhua Liu、Tian Xie

  DOI：10.1016/j.tetlet.2010.07.108

  日期：2010.10

  A novel and efficient synthesis of pyrrolidin-2-ones through the tandem reactions of vinyl sulfonium salts with malonyl amides under very mild conditions is reported. The reaction demonstrates a wide tolerance toward various aryls, acyl, sulfonyl, and benzyl while aliphatic groups delivering the tetrahydro-2-oxofuran product.

  报道了在非常温和的条件下，通过乙烯基sulf盐与丙二酰胺的串联反应，新型高效合成吡咯烷二酮的方法。该反应表明对各种芳基，酰基，磺酰基和苄基具有宽的耐受性，而脂族基团递送四氢-2-氧呋喃产物。
• Synthesis of γ-lactams via a domino Michael addition/cyclization reaction of vinyl selenone with substituted amides
  作者：Silvia Sternativo、Benedetta Battistelli、Luana Bagnoli、Claudio Santi、Lorenzo Testaferri、Francesca Marini

  DOI：10.1016/j.tetlet.2013.10.004

  日期：2013.12

  A novel, simple, and flexible approach to α,α-disubstituted γ-lactams via a domino Michael addition/cyclization process involving the phenyl vinyl selenone and β-ketoamides, malonylamides, or β-cyanoamides is reported. The reactions proceed in good to excellent yields under mild reaction conditions.

  报道了一种新颖，简单且灵活的方法，该方法通过涉及苯基乙烯基硒酮和β-酮​​酰胺，丙二酰胺或β-氰基酰胺的多米诺骨牌迈克尔加成/环化过程制备α，α-二取代的γ-内酰胺。在温和的反应条件下，反应以良好的收率进行。
• Pyrano-quinolines, pyrano-quinolinones, combinations thereof, photochromic compositions and articles
  申请人：Kim Beon-Kyu

  公开号：US20050127336A1

  公开（公告）日：2005-06-16

  Described are compositions of at least one material represented by a pyrano[3,2-c]quinoline structure, a pyrano[3,2-c]quinolinone structure or mixtures thereof. The pyrano[3,2-c]quinoline structure is characterized by having a nitrogen atom at the 6-position ring atom and an oxy-substituent at the 5-position ring atom. The pyrano[3,2-c]quinolinone structure is characterized by having a substituted nitrogen atom at the 6-position ring atom and an oxo-substituent at the 5-position ring atom, the nitrogen atom substituents being hydrogen, aliphatic substituents, cycloaliphatic substituents, aromatic substituents, heteroaromatic substituents or a combination thereof. Both of the pyrano[3,2-c]quinoline and pyrano[3,2-c]quinolinone structures are characterized by having two substituents at the 2-position ring atom, each substituent being independently chosen from aliphatic substituents, cycloaliphatic substituents, aromatic substituents, heteroaromatic substituents or a combination thereof, provided that both substituents at the 2-position are not aliphatic. Alternatively, the two substituents at the 2-position can combine to form a spirocyclic group, provided that the spirocyclic group is not norbornylidene or bicyclo[3.3.1]9-nonylidene. The ring atoms have been numbered according to the International Union of Pure and Applied Chemistry rules of nomenclature starting with the 1-position ring atom being the oxygen atom of the pyran ring and numbering counterclockwise therefrom. Also described are photochromic articles that contain or that have coatings or films containing at least one of the novel compositions or combinations thereof with other photochromic materials.

  本文介绍了至少一种由吡喃[3,2-c]喹啉结构，吡喃[3,2-c]喹啉酮结构或两者混合物组成的材料。吡喃[3,2-c]喹啉结构的特点是在6位环原子上有一个氮原子，在5位环原子上有一个氧基取代物。吡喃[3,2-c]喹啉酮结构的特点是在6位环原子上有一个取代氮原子，在5位环原子上有一个酮基取代物，氮原子的取代基可以是氢、脂肪基取代物、环脂肪基取代物、芳香基取代物、杂环芳香基取代物或以上的组合。吡喃[3,2-c]喹啉和吡喃[3,2-c]喹啉酮结构的共同特点是在2位环原子上有两个取代基，每个取代基可独立地选择脂肪基取代物、环脂肪基取代物、芳香基取代物、杂环芳香基取代物或以上的组合，只要2位上的两个取代基不都是脂肪基。或者，2位上的两个取代基可以结合形成螺环状基团，只要该螺环状基团不是诺伯尼林亚烯或双环[3.3.1]9-诺尼林亚烯。环原子的编号根据国际纯粹和应用化学联合会的命名规则，从吡喃环的氧原子作为1位环原子开始，逆时针方向编号。此外，本文还介绍了包含或涂层或膜含有至少一种新型组合物或其他光致变色材料的光致变色物品。
• van den Bosch,G. et al., Recueil des Travaux Chimiques des Pays-Bas, 1971, vol. 90, p. 601 - 610
  作者：van den Bosch,G. et al.

  DOI：——

  日期：——