N-(6-methylchromon-3-ylmethyl)-N-methylglycine | 1128100-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-(6-methylchromon-3-ylmethyl)-N-methylglycine
• 英文别名: 2-[Methyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]acetic acid；2-[methyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]acetic acid
• CAS: 1128100-04-8
• 化学式: C₁₄H₁₅NO₄
• 分子量: 261.277
• InChiKey: WWEQLAIOKYJZBG-UHFFFAOYSA-N

物化性质

• 熔点：
  124-126 °C(Solvent: Methanol)
• 沸点：
  436.3±45.0 °C(predicted)
• 密度：
  1.281±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-甲基-4-氧-4H-1-苯并吡喃-3-甲醛 、 肌氨酸 在 聚合甲醛 作用下， 以 甲醇 、 水 为溶剂， 反应 3.0h， 以60%的产率得到N-(6-methylchromon-3-ylmethyl)-N-methylglycine
  参考文献：
  名称：

  Synthesis of bischromones by deformylative Mannich type reaction on chromone-3-carbaldehyde using α-aminoacid as the source of amine

  摘要：

  Chromone-3-carbaldehyde reacts with N-methylglycine or glycine in the presence of excess formaldehyde to produce N-(chromone-3-ylmethyl)-N-methylglycine or N,N-di(chromone-3-ylmethyl)glycine, respectively, by a deformylative Mannich type reaction. Use of alanine or leucine or methionine in place of glycine produces N-(chromone-3-ylmethyl)alanine/-leucine/-methionine, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.12.065

文献信息

• Synthesis of bischromones by deformylative Mannich type reaction on chromone-3-carbaldehyde using α-aminoacid as the source of amine
  作者：Suman Kalyan Panja、Sourav Maiti、Michael G.B. Drew、Chandrakanta Bandyopadhyay

  DOI：10.1016/j.tet.2008.12.065

  日期：2009.2

  Chromone-3-carbaldehyde reacts with N-methylglycine or glycine in the presence of excess formaldehyde to produce N-(chromone-3-ylmethyl)-N-methylglycine or N,N-di(chromone-3-ylmethyl)glycine, respectively, by a deformylative Mannich type reaction. Use of alanine or leucine or methionine in place of glycine produces N-(chromone-3-ylmethyl)alanine/-leucine/-methionine, respectively. (C) 2009 Elsevier Ltd. All rights reserved.