N-propargyl-3,3-dimethylbutanamide | 634584-12-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-propargyl-3,3-dimethylbutanamide
• 英文别名: 3,3-Dimethyl-N-(prop-2-yn-1-yl)butanamide；3,3-dimethyl-N-prop-2-ynylbutanamide
• CAS: 634584-12-6
• 化学式: C₉H₁₅NO
• mdl: MFCD14631530
• 分子量: 153.224
• InChiKey: MUXGPGRXZZCFEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3,3-二甲基丁酰氯 、 炔丙胺 在 吡啶 作用下， 以 乙醚 为溶剂， 以59%的产率得到N-propargyl-3,3-dimethylbutanamide
  参考文献：
  名称：

  非手性聚（N-炔丙基酰胺）单螺旋概念的诱导

  摘要：

  非手性N-炔丙基酰胺，即N-炔丙基-3-甲基丁酰胺（1），N-炔丙基-2-乙基丁酰胺（2）和N-炔丙基-3,3-二甲基丁酰胺（3）与（nbd）Rh聚合+ [η 6 -C 6 H ^ 5 B-（C 6 H ^ 5）3 ]，得到具有中等分子量（聚合物中号ñ以良好产率= 6000-22 000）。的1 H NMR和UV-vis光谱表明，聚合物，聚（1） -聚（3），具有立体规则的结构（顺式= 100％），并且右手和左手螺旋构型均相同。在这些聚合物中，主要的螺旋感是通过添加手性醇或胺来诱导的，这可以通过CD和UV-vis光谱学得到证实。1 H NMR和CD光谱学研究强烈表明，聚（N-炔丙基酰胺）通过在聚合物侧链的酰胺基上的氢键与手性醇相互作用。手性萜烯也可以诱导单手螺旋构象。这可能是疏水相互作用导致了单手螺旋构象的手性萜烯的情况下，因为加的ñ正己烷降低CD信号。

  DOI：

  10.1021/ma030324i

文献信息

• Modulators of muscarinic receptors
  申请人：Davies Robert

  公开号：US20070213315A1

  公开（公告）日：2007-09-13

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及毒蕈碱受体调节剂。本发明还提供包含此类调节剂的组合物，并使用这些方法治疗毒蕈碱受体介导的疾病。
• Modulators of Muscarinic Receptors
  申请人：Davies Robert

  公开号：US20120196857A9

  公开（公告）日：2012-08-02

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及毒蕈碱受体的调节剂。本发明还提供包含这种调节剂的组合物，并且提供了使用这些组合物治疗毒蕈碱受体介导疾病的方法。
• Dynamically Stable Helices of Poly(<i>N</i>-propargylamides) with Bulky Aliphatic Groups
  作者：Jianping Deng、Junichi Tabei、Masashi Shiotsuki、Fumio Sanda、Toshio Masuda

  DOI：10.1021/ma049321b

  日期：2004.7.1

  N-Propargylamides with bulky pendent groups [HCequivalent toCCH(2)NHCOR, 9: R = CH2C(CH3)(3), 10: R = C(CH3)(3), 11: R = C(CH3)(2)CH2CH2CH3, 12: R = CH(CH2CH3)(2), 13: R = CH(CH2CH2CH3)(2)] were polymerized with a rhodium catalyst, (nbd)Rh+B-(C6H5)(4) (nbd = 2,5-norbornadiene), to obtain the polymers in 80-92% yields. Poly(11) and poly(12) possessed moderate molecular weights (M-n greater than or equal to 10000) and were totally soluble in a few solvents including chloroform. On the other hand, the M. values of poly(9), poly(10), and poly(13) were no more than 5000, and these polymers were not completely soluble in any solvents. The conformational transition behavior of these polymers was examined by temperature-variable UV-vis spectroscopy in chloroform solution, which revealed that poly(10)-poly(13) could form dynamically stable helical conformation even at 60 degreesC. By copolymerizations of monomers 9 and 10 with monomer 4, HCequivalent toCCH(2)NHCO(CH2)(4)H, the solubility of the polymers was effectively improved and almost all the copolymers totally dissolved in chloroform, while the molecular weights of the copolymers increased up to 18600-45000. Moreover, the helix contents of poly(4(0.63)-co-9(0.37)) and poly(4(0.40)-co-10(0.60)) were the highest among the two series of (co)polymers, respectively. It is concluded that the copolymerization of 9 and 10 with 4 effectively decreased the steric repulsion between the crowded side chains, which probably allowed the copolymers to take helical conformation efficiently.
• US8003660B2
  申请人：——

  公开号：US8003660B2

  公开（公告）日：2011-08-23
• US8304423B2
  申请人：——

  公开号：US8304423B2

  公开（公告）日：2012-11-06