ethyl malonic monoimidate hydrochloride | 34570-16-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ethyl malonic monoimidate hydrochloride
• 英文别名: 3-amino-3-ethoxyacrylic acid ethyl ester hydrochloride；ethyl 3-amino-3-ethoxy-2-propenoate hydrochloride；Ethyl 3-amino-3-ethoxyacrylate hydrochloride；ethyl (E)-3-amino-3-ethoxyprop-2-enoate;hydrochloride
• CAS: 34570-16-6
• 化学式: C₇H₁₃NO₃*ClH
• 分子量: 195.646
• InChiKey: JYGHNNMPKVPTKF-IPZCTEOASA-N

物化性质

• 熔点：
  103-105 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.33
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922509090
• WGK Germany：
  3

制备方法与用途

用途：用于有机合成，还可作为感光材料的中间体。

反应信息

• 作为反应物：
  描述：

  ethyl malonic monoimidate hydrochloride 、 丙二腈 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以88.7%的产率得到3-氨基-4,4-二氰基-3-丁烯酸乙酯
  参考文献：
  名称：

  Inhibitors of c-Jun N-terminal kinases

  摘要：

  本发明涉及作为c-jun N-末端激酶1、2或3（JNK1、JNK2或JNK3）抑制剂的化合物，包含这些化合物的组合物以及这些化合物在预防或治疗由JNK1、JNK2和JNK3激活调控的疾病中的用途。

  公开号：

  US20060173050A1

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。
• [EN] INDAZOL-3-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1)<br/>[FR] INDAZOL-3-ONES ET ANALOGUES ET DERIVES MODULANT LA FONCTION DU RECEPTEUR VANILLOIDE-1 (VR1)
  申请人：MERCK SHARP & DOHME

  公开号：WO2005049601A1

  公开（公告）日：2005-06-02

  Compounds of formula (I), which are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

  化合物的化学式（I），在治疗疼痛和其他通过调节辣椒素-1受体（VR1）功能而改善的疾病方面非常有用。
• [EN] HETEROCYCLIC QUINOLIZINE DERIVED M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DÉRIVÉ DE LA QUINOLIZINE HÉTÉROCYCLIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011137049A1

  公开（公告）日：2011-11-03

  The present invention is directed to novel 3-oxo-2,3-dihydropyrazolo[4,3-c]quinolizine derived compounds of generic formula (I) or a pharmaceutically acceptable salt thereof, which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一种新型的3-氧代-2,3-二氢吡唑并[4,3-c]喹啉衍生物，其通用式为(I)或其药学上可接受的盐，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物治疗由M1受体介导的疾病的用途。
• 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。
• Indazol-3-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (vr1)
  申请人：Burkamp Frank

  公开号：US20070129374A1

  公开（公告）日：2007-06-07

  Compounds of formula (I), which are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

  公式为（I）的化合物，可用作治疗化合物，特别是在疼痛治疗和通过调节vanilloid-1受体（VR1）功能改善的其他病症治疗中有用。