N-Methyl-N-(2-hydroxyethyl)(2,3-dihydro-1,4-benzodioxin-2-yl)methanamine | 73120-83-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: N-Methyl-N-(2-hydroxyethyl)(2,3-dihydro-1,4-benzodioxin-2-yl)methanamine
• 英文别名: 2-[(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amino]-ethanol；2-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amino]-aethanol；2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethanol
• CAS: 73120-83-9
• 化学式: C₁₂H₁₇NO₃
• mdl: MFCD01728059
• 分子量: 223.272
• InChiKey: NUOABGIIYNJJBX-UHFFFAOYSA-N

物化性质

• 沸点：
  346.5±30.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  41.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  N-Methyl-N-(2-hydroxyethyl)(2,3-dihydro-1,4-benzodioxin-2-yl)methanamine 在 氨 作用下， 以 甲醇 为溶剂， 生成 2-amino>ethyl 3-aminocrotonate
  参考文献：
  名称：

  New 1,4-dihydropyridine derivatives combining calcium antagonism and .alpha.-adrenolytic properties

  摘要：

  A series of twelve 1,4-dihydropyridine derivatives incorporating an alpha-adrenergic moiety in one of the ester chains was synthesized. The compounds were evaluated for their calcium antagonist activities by the inhibition of [3H]nitrendipine binding and, in vitro, on pig coronary artery. Their alpha 1- and alpha 2-adrenolytic effects were assessed from their inhibition of [3H]prazosin and [3H]yohimbine binding and, in vitro, on rat aorta and guinea pig vas deferens. Compounds 6 and 9-11 displayed strong calcium antagonist activities, identical with that of nicardipine. The moderate alpha-adrenolytic properties observed were attributed to the presence of alpha-adrenergic moieties. The four chiral derivatives 6a (R,R), 6b (S,S), 6c (S,R), and 6d (R,S) with an N-methyl-N-(benzodioxanylmethyl)amino group on the ester chain were prepared and tested as done previously. Some structure-activity relationships are discussed.

  DOI：

  10.1021/jm00126a042
• 作为产物：
  描述：

  1,4-苯并二氧六环-2-甲酸乙酯 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 112.0h， 生成 N-Methyl-N-(2-hydroxyethyl)(2,3-dihydro-1,4-benzodioxin-2-yl)methanamine
  参考文献：
  名称：

  Design and synthesis of substituted compounds containing the 1,4-benzodioxin subunit. New potential calcium antagonists

  摘要：

  New compounds possessing 1,4-benzodioxin or its saturated analogous heterocyclic system were synthesized and tested for calcium antagonist activity. Biological differences were seen between the different modifications applied. These compounds have been shown to be representative of a novel series of calcium channel antagonists. (C) 2000 editions scientifiques et medicates Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00164-1

文献信息

• Marini-Bettolo et al., Rendiconti - Istituto superiore di sanita, 1959, vol. 22, p. 201,206
  作者：Marini-Bettolo et al.

  DOI：——

  日期：——
• MARCINIAK, GILBERT;DELGADO, ANTONIO;LECLERC, GERARD;VELLY, JEANNE;DECKER,+, J. MED. CHEM., 32,(1989) N, C. 1402-1407
  作者：MARCINIAK, GILBERT、DELGADO, ANTONIO、LECLERC, GERARD、VELLY, JEANNE、DECKER,+

  DOI：——

  日期：——
• Marini-Bettolo et al., Rendiconti-Istituto Superiore di Sanita, 1959, vol. 22, p. 201,203
  作者：Marini-Bettolo et al.

  DOI：——

  日期：——