N-(2-Methoxy-ethyl)-propionamide | 98829-72-2

• 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: N-(2-Methoxy-ethyl)-propionamide
• 英文别名: Propanamide, N-(2-methoxyethyl)-；N-(2-methoxyethyl)propanamide
• CAS: 98829-72-2
• 化学式: C₆H₁₃NO₂
• mdl: MFCD03391292
• 分子量: 131.175
• InChiKey: CVKMCTKUFWPCBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-Methoxy-ethyl)-propionamide 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 14.0h， 生成 N-(2-甲氧基乙基)丙胺
  参考文献：
  名称：

  Alkene loss from metastable methyleneimmonium ions: Unusual inverse secondary isotope effect in ion-neutral complex intermediate fragmentations

  摘要：

  AbstractThe mechanism of propene elimination from metastable methyleneimmonium ions is discussed. The first field‐free region fragmentations of complete sets of isotopically labelled methyleneimmonium ions (H2C = \documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm N}\limits^{\rm +} $\end{document}+R1R2: R1 = R2 = n‐C3H7; R1 = R2 = i‐C3H7; R1 = n ‐C3H7; R2 = C2H5; R1 = n‐C3H7; R2 = CH3; R1 = n‐C3H7; R2 = H) were used to support the mechanism presented. The relative amounts of H/D transferred are quantitatively correlated to two distinct mathematical concepts which allow information to be deduced about influences on reaction pathways that cannot be measured directly. Propene loss from the ions examined proceeds via ion‐neutral complex intermediates. For the di‐n‐propyl species rate‐determining and H/D distribution‐determining steps are clearly distinct Whereas the former corresponds to a 1,2‐hydride shift in a 1‐propyl cation coordinated to an imine moiety, the latter is equivalent to a proton transfer to the imine occurring from the 2‐propyl cation generated by the previous step. For the diisopropyl‐substituted ions which directly form the 2‐propyl cation‐containing complex, the rate‐determining hydride shift vanishes. The 2‐propyl cation‐containing complex can decompose directly or via an intermediate proton‐bridged complex. Competition of these routes is not excluded by the experimental results. Assuming a 2:1:3 distribution, a preference for the α‐ and β‐methylene of the initial n‐propyl chain as the source of the hydrogen transferred is detected for n‐propylimmonium ions containing a second alkyl chain R2. This preference shows a clear dependence on the steric influence of R2. During the transfer step isotopic substitution is found to affect the H/D distribution strongly. For the alternative route of McLafferty rearrangement leading to C2H4 loss, specific γ‐H transfer is observed.

  DOI：

  10.1002/oms.1210261214
• 作为产物：
  描述：

  丙酰氯 、 2-甲氧基乙胺 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 N-(2-Methoxy-ethyl)-propionamide
  参考文献：
  名称：

  Alkene loss from metastable methyleneimmonium ions: Unusual inverse secondary isotope effect in ion-neutral complex intermediate fragmentations

  摘要：

  AbstractThe mechanism of propene elimination from metastable methyleneimmonium ions is discussed. The first field‐free region fragmentations of complete sets of isotopically labelled methyleneimmonium ions (H2C = \documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm N}\limits^{\rm +} $\end{document}+R1R2: R1 = R2 = n‐C3H7; R1 = R2 = i‐C3H7; R1 = n ‐C3H7; R2 = C2H5; R1 = n‐C3H7; R2 = CH3; R1 = n‐C3H7; R2 = H) were used to support the mechanism presented. The relative amounts of H/D transferred are quantitatively correlated to two distinct mathematical concepts which allow information to be deduced about influences on reaction pathways that cannot be measured directly. Propene loss from the ions examined proceeds via ion‐neutral complex intermediates. For the di‐n‐propyl species rate‐determining and H/D distribution‐determining steps are clearly distinct Whereas the former corresponds to a 1,2‐hydride shift in a 1‐propyl cation coordinated to an imine moiety, the latter is equivalent to a proton transfer to the imine occurring from the 2‐propyl cation generated by the previous step. For the diisopropyl‐substituted ions which directly form the 2‐propyl cation‐containing complex, the rate‐determining hydride shift vanishes. The 2‐propyl cation‐containing complex can decompose directly or via an intermediate proton‐bridged complex. Competition of these routes is not excluded by the experimental results. Assuming a 2:1:3 distribution, a preference for the α‐ and β‐methylene of the initial n‐propyl chain as the source of the hydrogen transferred is detected for n‐propylimmonium ions containing a second alkyl chain R2. This preference shows a clear dependence on the steric influence of R2. During the transfer step isotopic substitution is found to affect the H/D distribution strongly. For the alternative route of McLafferty rearrangement leading to C2H4 loss, specific γ‐H transfer is observed.

  DOI：

  10.1002/oms.1210261214

文献信息

• CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS
  申请人：Melvin, JR. Lawrence S.

  公开号：US20100022543A1

  公开（公告）日：2010-01-28

  The present invention provides a compound of general Formula (I) having histone deacetylase (HDAC) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的方法。
• Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity
  申请人：GNAMM Christian

  公开号：US20140249129A1

  公开（公告）日：2014-09-04

  This invention relates to substituted bicyclic dihydropyrimidinones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及公式1的取代双环二氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，包含这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的方法。
• FUSED HETEROCYCLYC INHIBITOR COMPOUNDS
  申请人：Melvin, JR. Lawrence S.

  公开号：US20100029638A1

  公开（公告）日：2010-02-04

  The present invention provides a compound of general Formula (I) having histone deacetylase (HDAC) and/or Cyclin-dependent kinase (CDK) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）和/或 Cyclin 依赖性激酶（CDK）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的方法。
• ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES
  申请人：Herman Jean

  公开号：US20140088088A1

  公开（公告）日：2014-03-27

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, Formulas (I), (II), (III) and (IV) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent proliferative disorders and their use to manufacture a medicine to treat or prevent proliferative disorders, particularly cancer such as leukemia. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent proliferative disorders. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of proliferative disorders and pathologic conditions such as, but not limited to, cancer such as leukemia.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加合物盐和/或其立体异构体和/或其溶剂化合物，式(I)、(II)、(III)和(IV)中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，以及使用所述化合物来治疗或预防增殖性疾病以及用于制造治疗或预防增殖性疾病的药物，特别是像白血病这样的癌症。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防增殖性疾病。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗增殖性疾病和病理状况的药物，例如癌症如白血病等。
• [EN] NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS BENZIMIDAZOLIUM SUBSTITUÉS EN POSITION 5
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015007516A1

  公开（公告）日：2015-01-22

  The present invention relates to compounds of general formula (I) and the tautomers and the salts thereof, particularly the pharmaceutically acceptable salts thereof with inorganic or organic acids and bases, which have valuable pharmacological properties, particularly an inhibitory effect on epithelial sodium channels, the use thereof for the treatment of diseases, particularly diseases of the lungs and airways.

  本发明涉及一般式（I）的化合物，以及其互变异构体和盐，特别是其与无机或有机酸和碱形成的药用可接受盐，具有有价值的药理特性，特别是对上皮钠通道具有抑制作用，以及其用于治疗疾病，特别是肺部和气道疾病。