1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne | 57790-32-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne
• 英文别名: 3-trimethylsilyl propargyl benzylidenamine；Trimethylsilyl-1-iminobenzyl-3-propyn-1；1-phenyl-N-(3-trimethylsilylprop-2-ynyl)methanimine
• CAS: 57790-32-6
• 化学式: C₁₃H₁₇NSi
• 分子量: 215.37
• InChiKey: WQTKNGJGJOYBFS-UHFFFAOYSA-N

物化性质

• 沸点：
  259.4±23.0 °C(Predicted)
• 密度：
  0.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.99
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne 在 正丁基锂 、 三乙胺 、 苯肼 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 Petroleum ether 为溶剂， 反应 2.0h， 生成 N-acetyl-6-methyl-1-trimethylsilylhept-5-en-1-yn-3-ylamine
  参考文献：
  名称：

  Casara, Patrick; Danzin, Charles; Metcalf, Brian, Journal of the Chemical Society. Perkin transactions I, 1985, p. 2201 - 2208

  摘要：

  DOI：
• 作为产物：
  描述：

  三甲基氯硅烷 、 N-亚苄基-2-丙炔基胺 在 乙基溴化镁 作用下， 生成 1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne
  参考文献：
  名称：

  Synthesis of 3-amino-3-vinylpropanoic acid and its conversion to 4-amino-5-hydroxy-4,5-dihydrofuran-2-one hydrochloride (HAD), a cyclic stabilised form of aspartate 1-semialdehyde hydrochloride

  摘要：

  3-Amino-3-vinylpropanoic acid hydrochloride 4 was obtained from 4-acetoxyazetidin-2-one 1 in 3 steps. The ozonolysis of 4 yielded 3-amino-4-oxopropanoic acid hydrochloride (aspartate 1-semialdehyde hydrochloride 6). This labile alpha-aminoaldehyde is isolated in its stable cyclic form, 4-amino-5-hydroxy-4,5-dihydrofuran-2-one hydrochloride 7. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10033-3

文献信息

• Novel .alpha.-amino acids
  申请人：Merck & Co., Inc.

  公开号：US04401676A1

  公开（公告）日：1983-08-30

  Novel .alpha.-ethynyl- and .alpha.-vinyl 3,4-disubstituted phenylalanines are disclosed. The compounds have pharmaceutical activity.

  本发明揭示了α-乙炔基和α-乙烯基3,4-二取代苯丙氨酸。这些化合物具有药物活性。
• Use of certain acetylene-substituted amino-acid compounds for
  申请人：——

  公开号：US04582529A1

  公开（公告）日：1986-04-15

  Growth of unwanted plants is controlled by certain acetylene-substituted aminocarboxylic acid compounds.

  某些乙炔取代的氨基羧酸化合物可以控制不需要的植物生长。
• Conformationally restricted analogs of the muscarinic agent N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
  作者：J. R. Michael Lundkvist、Bjorn Ringdahl、Uli Hacksell

  DOI：10.1021/jm00124a022

  日期：1989.4

  Conformationally restricted analogues of the selective partial muscarinic agonist N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM 5; 2) were synthesized. The compounds were tested for muscarinic and antimuscarinic activity in the isolated guinea pig ileum and in intact mice. They were found to be moderately potent muscarinic antagonists or weak partial agonists. The new compounds were less potent than 2 in inhibiting (-)-[3H]-N-methylscopolamine binding in the rate cerebral cortex. Thus, structural modifications of 2 in which part of the amide moiety has been connected with the methyl group in the butynyl chain to form a five-membered ring decrease affinity and in most cases abolish efficacy.
• Regiospecific 1,4 addition of a propargylic anion. A general synthon for 2-substituted propargylamines as potential catalytic irreversible enzyme inhibitors.
  作者：Brian W. Metcalf、Patrick Casara

  DOI：10.1016/s0040-4039(00)91443-6

  日期：1975.1
• Catalytic irreversible inhibition of mammalian ornithine decarboxylase (E.C.4.1.1.17) by substrate and product analogs
  作者：B. W. Metcalf、P. Bey、C. Danzin、M. J. Jung、P. Casara、J. P. Vevert

  DOI：10.1021/ja00476a050

  日期：1978.4