spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-thione)-8,1'-cyclohexane] | 1014087-16-1

• 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-thione)-8,1'-cyclohexane]
• 英文别名: 7'-benzyl-6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-thione；7-benzyl-6-methylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-thione
• CAS: 1014087-16-1
• 化学式: C₂₅H₂₆O₂S
• mdl: MFCD09846972
• 分子量: 390.546
• InChiKey: XMLXNHPOTPHAOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-thione)-8,1'-cyclohexane] 在 吡啶 、 盐酸羟胺 作用下， 反应 6.0h， 以94%的产率得到spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] 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
• 作为产物：
  描述：

  spiro[(4-methyl-3-benzyl-7,8-dihydropyrano[3,2-g]chromen-2-one)-8,1'-cyclohexane] 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以88%的产率得到spiro[(3-benzyl-4-methyl-7,8-dihydropyrano[3,2-g]chromen-2-thione)-8,1'-cyclohexane]
  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.