(Cyclopropylmethyl)(prop-2-yn-1-yl)amine | 1042171-04-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (Cyclopropylmethyl)(prop-2-yn-1-yl)amine
• 英文别名: N-(cyclopropylmethyl)prop-2-yn-1-amine
• CAS: 1042171-04-9
• 化学式: C₇H₁₁N
• mdl: MFCD12138688
• 分子量: 109.171
• InChiKey: CMEDMPFEVHCGIX-UHFFFAOYSA-N

物化性质

• 沸点：
  172.2±13.0 °C(Predicted)
• 密度：
  0.937±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (Cyclopropylmethyl)(prop-2-yn-1-yl)amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 一水合肼 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 5-(Cyclopropylmethyl)-2-(oxan-4-yl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
  参考文献：
  名称：

  An expeditious and atom-economic synthesis of lead-like, medicinally important 4,5-dihydropyrazolo[1,5-a]pyrazin-6-ones

  摘要：

  We have developed an expeditious and atom-economic synthesis of lead-like, privileged 4,5-dihydropyrazolo[1,5-a]pyrazin-6-ones, which is based on Sonogashira coupling and a two-step condensation with hydrazine hydrate leading to two ring-forming events, with full control over the two elements of diversity present. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2014.06.104
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 (Cyclopropylmethyl)(prop-2-yn-1-yl)amine
  参考文献：
  名称：

  An expeditious and atom-economic synthesis of lead-like, medicinally important 4,5-dihydropyrazolo[1,5-a]pyrazin-6-ones

  摘要：

  We have developed an expeditious and atom-economic synthesis of lead-like, privileged 4,5-dihydropyrazolo[1,5-a]pyrazin-6-ones, which is based on Sonogashira coupling and a two-step condensation with hydrazine hydrate leading to two ring-forming events, with full control over the two elements of diversity present. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2014.06.104

文献信息

• Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors
  作者：Junko Tamiya、Brian Dyck、Mingzhu Zhang、Kasey Phan、Beth A. Fleck、Anna Aparicio、Florence Jovic、Joe A. Tran、Troy Vickers、Jonathan Grey、Alan C. Foster、Chen Chen

  DOI：10.1016/j.bmcl.2008.04.025

  日期：2008.6

  A series of milnacipran analogs were synthesized and studied as monoamine transporter inhibitors, and several potent compounds with moderate lipophilicity were identified from the 1S, 2R-isomers. Thus, 15l exhibited IC50 values of 1.7 nM at NET and 25 nM at SERT, which were, respectively, 20- and 13-fold more potent than 1S, 2R-milnacipran 1-II. (C) 2008 Elsevier Ltd. All rights reserved.