N-(2-甲氧基乙基)丙胺 | 43175-57-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-(2-甲氧基乙基)丙胺
• 中文别名: N-(2-甲氧乙基)丙胺；N-(2-甲氧乙基)正丙胺；N-(2-甲氧基乙基)-N-丙胺
• 英文名称: N-(2-methoxyethyl)propan-1-amine
• 英文别名: Propyl-<2-methoxy-aethyl>-amin；N-(2-methoxyethyl)-N-propylamine；N-propyl-N-(2-methoxyethyl)amine；2-methoxyethylpropylamine
• CAS: 43175-57-1
• 化学式: C₆H₁₅NO
• 分子量: 117.191
• InChiKey: UDZCEFCJEGGQOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  138°C
• 密度：
  0.820±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常规情况下不会分解，没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  8
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  3/8
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R10,R34
• 危险品运输编号：
  UN 2733
• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  N-(2-甲氧基乙基)丙胺 在 吡啶 、 lithium aluminium tetrahydride 、 三氯化磷 作用下， 以 乙醚 为溶剂， 反应 14.0h， 生成 N-(2-methoxyethyl)-N-propylpropan-1-amine-3,3,3-d3
  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：

  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

文献信息

• IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS
  申请人：Venkataramani Chandrasekar

  公开号：US20100009990A1

  公开（公告）日：2010-01-14

  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.

  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有效方法。
• [EN] NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE CYCLOSPORINE ET LEURS UTILISATIONS
  申请人：S&T GLOBAL INC

  公开号：WO2017200984A1

  公开（公告）日：2017-11-23

  A compound of the Formula (I) is disclosed: (I) or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification. Also described are a pharmaceutical composition comprising the same and a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, lung, and liver, and kindey diseases, and hair loss using the same.

  公开了化合物的公式（I）：（I）或其药学上可接受的盐，其中符号如规范中定义。还描述了包含相同化合物的药物组合物，以及使用该药物组合物治疗或预防病毒感染、炎症、干眼症、中枢神经障碍、心血管疾病、癌症、肥胖症、糖尿病、肌肉萎缩症、肺部和肝脏疾病、肾脏疾病和脱发的方法。
• 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。
• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• INHIBITORS OF HIV REPLICATION
  申请人：STURINO Claudio

  公开号：US20100261714A1

  公开（公告）日：2010-10-14

  Compounds of formula (I): wherein R 1 , R 2 , A 1 , A 2 , A 3 , A 4 , X and Y are as defined herein, are useful as inhibitors of HIV replication.

  式(I)的化合物： 其中R1、R2、A1、A2、A3、A4、X和Y如本文所定义，可用作HIV复制抑制剂。