N,N-dimethyl-N-(4,4-dimethyl-3-oxopentyl)ammonium chloride | 53400-42-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N-dimethyl-N-(4,4-dimethyl-3-oxopentyl)ammonium chloride
• 英文别名: 1-dimethylamino-4,4-dimethyl-pentan-3-one hydrochloride；1-dimethylamino-4,4-dimethyl-3-pentanone hydrochloride；(4,4-Dimethyl-3-oxopentyl)-dimethylazanium;chloride
• CAS: 53400-42-3
• 化学式: C₉H₁₉NO*ClH
• mdl: MFCD00034852
• 分子量: 193.717
• InChiKey: NHRXYRRVZFAGOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  20.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-N-(4,4-dimethyl-3-oxopentyl)ammonium chloride 在 sodium hydroxide 、 sodium tetrahydroborate 、 ion exchanger (Lewatit MP 600) 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 14.67h， 生成 特戊醛
  参考文献：
  名称：

  Tietze, Lutz-F.; Kinast, Guenther, Liebigs Annalen der Chemie, 1980, # 3, p. 451 - 460

  摘要：

  DOI：
• 作为产物：
  描述：

  频哪酮 、 N,N-二甲基氯烯亚胺 以76%的产率得到N,N-dimethyl-N-(4,4-dimethyl-3-oxopentyl)ammonium chloride
  参考文献：
  名称：

  Efficient preparation of substituted 5,6,7,8-tetrahydroquinolines and octahydroacridine derivatives

  摘要：

  DOI：

  10.1002/(sici)1521-3897(199907)341:5<487::aid-prac487>3.3.co;2-a

文献信息

• Palladium-Promoted Transformation of β-Amino Ketones to Enaminones
  作者：Shun-Ichi Murahashi、Yo Mitsue、Tatsuo Tsumiyama

  DOI：10.1246/bcsj.60.3285

  日期：1987.9

  The reaction of β-amino ketones with bis(acetonitrile)dichloropalladium(II) in the presence of triethylamine gives the corresponding enaminones regioselectively. The cyclic β-amino ketones can be converted into the corresponding exocyclic enaminones. The enaminones thus obtained are versatile synthetic intermediates. The reaction of (E)-enaminones with organocuprates gave the corresponding (E)-α,β-unsaturated ketones.

  在三乙胺存在下，β-氨基酮与双(乙腈)二氯钯(II)反应，选择性地生成相应的烯胺酮。环状β-氨基酮可以转化为相应的开链烯胺酮。由此得到的烯胺酮是多用途的合成中间体。(E)-烯胺酮与有机铜酸盐反应，得到相应的(E)-α,β-不饱和酮。
• Golod, E. L.; Bagal, L. I., Russian Journal of Organic Chemistry, 1994, vol. 30, # 1.1, p. 29 - 33
  作者：Golod, E. L.、Bagal, L. I.

  DOI：——

  日期：——
• Synthesis and plant-growth regulatory activities of novel imine derivatives containing 1H-1,2,4-triazole and thiazole rings
  作者：Xue Qin、Hai Bo Yu、Hong Dai、Zhen Fang Qin、Xin Zhang、Gui Fang Bing、Ting Ting Wang、Jian Xin Fang

  DOI：10.1016/j.cclet.2009.11.007

  日期：2010.3

  Eleven new imine derivatives 6 containing 1H-1,2,4-triazole and thiazole rings were synthesized by the condensation of 5-((1H-1,2,4-triazol-1-yl)methyl)-4-tert-butylthiazol-2-amine with various substituted benzaldehydes. The structures of the title compounds were characterized by H-1 NMR, MS and elemental analysis. The plant-growth regulatory activities of these compounds were evaluated. The primary bioassay results indicated that these target compounds exhibited promising plant-growth regulatory activities. (C) 2009 Jian Xin Fang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• Carson, Mary S.; Cocker, Wesley; Shannon, Patrick V. R., Journal of Chemical Research, Miniprint, 1993, # 2, p. 523 - 547
  作者：Carson, Mary S.、Cocker, Wesley、Shannon, Patrick V. R.

  DOI：——

  日期：——
• Tietze, Lutz-F.; Kinast, Guenther, Liebigs Annalen der Chemie, 1980, # 3, p. 451 - 460
  作者：Tietze, Lutz-F.、Kinast, Guenther

  DOI：——

  日期：——