spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] O-(N-tert-butyloxycarbonyl-4-aminobutyryl)oxime | 1133822-90-8

• 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: spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] O-(N-tert-butyloxycarbonyl-4-aminobutyryl)oxime
• 英文别名: [(7-Benzyl-6-methylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-ylidene)amino] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate；[(7-benzyl-6-methylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-ylidene)amino] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
• CAS: 1133822-90-8
• 化学式: C₃₄H₄₂N₂O₆
• 分子量: 574.717
• InChiKey: AHKOADBSMCNNAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  153-154 °C(Solv: isopropanol (67-63-0))
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] oxime 、 4-<(tert-butoxycarbonyl)amino>butyric anhydride 在 4-二甲氨基吡啶 作用下， 以 1,4-二氧六环 为溶剂， 生成 spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] O-(N-tert-butyloxycarbonyl-4-aminobutyryl)oxime
  参考文献：
  名称：

  Synthesis of amino acid derivatives of hydrazones and oximes of spirodihydropyranochromen-2-ones

  摘要：

  Sulfur-and nitrogen-containing derivatives of spirodihydropyranochromen-2-ones at the exocyclic oxygen atom have been synthesized. Modification of the oximes and hydrazones of the spiro-substituted pyranocoumarins with N-substituted amino acids were carried out using activated ester and symmetrical anhydride methods.

  DOI：

  10.1007/s10593-008-0033-5

文献信息

• Synthesis of amino acid derivatives of hydrazones and oximes of spirodihydropyranochromen-2-ones
  作者：M. V. Veselovska、M. M. Garazd、O. S. Ogorodniychuk、Ya. L. Garazd、V. P. Khilya

  DOI：10.1007/s10593-008-0033-5

  日期：2008.2

  Sulfur-and nitrogen-containing derivatives of spirodihydropyranochromen-2-ones at the exocyclic oxygen atom have been synthesized. Modification of the oximes and hydrazones of the spiro-substituted pyranocoumarins with N-substituted amino acids were carried out using activated ester and symmetrical anhydride methods.