(3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-on | 161923-19-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-on
• CAS: 161923-19-9
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: BVBUVXLJDLJIGL-NYYLHBDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 (3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-on 在 硫酸 作用下， 反应 4.0h， 生成 9-Oxo-decatriensaeure-methylester 、
  参考文献：
  名称：

  Synthese von ?-Acetyl-?-methylenpolyencarbons�ureestern

  摘要：

  The alpha-methylenpolyene carboxylic acids 1 and 2 are highly active against Gram-positive bacteria. If this activity arises from an interference with the cell membranes, then an abrupt change in biological properties is to be expected with growing chain length of simple model compounds. To make these tests possible, we describe here the synthesis of a series of homologue esters of type 40. Their synthesis was achieved by Wittig reactions of polyene alpha,omega-dialdehydes 6 with acetyl-methylentriphenylphosphoran 5a and the protected carboxymethylmethylen triphenylphosphonium salt 8.

  DOI：

  10.1002/prac.19943360806
• 作为产物：
  描述：

  7,7-dimethoxy-hepta-3t,5t-dien-2-one 在 Amberlyst 15 、 potassium tert-butylate 、 水 、 碘 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 10.08h， 生成 (3E,5E,7E)-9-(2,4,10-Trioxa-adamant-3-yl)-nona-3,5,7-trien-2-on
  参考文献：
  名称：

  Synthese von ?-Acetyl-?-methylenpolyencarbons�ureestern

  摘要：

  The alpha-methylenpolyene carboxylic acids 1 and 2 are highly active against Gram-positive bacteria. If this activity arises from an interference with the cell membranes, then an abrupt change in biological properties is to be expected with growing chain length of simple model compounds. To make these tests possible, we describe here the synthesis of a series of homologue esters of type 40. Their synthesis was achieved by Wittig reactions of polyene alpha,omega-dialdehydes 6 with acetyl-methylentriphenylphosphoran 5a and the protected carboxymethylmethylen triphenylphosphonium salt 8.

  DOI：

  10.1002/prac.19943360806