1-(2,2-二苯基-1,3-苯并二氧戊环-5-基)-2-氯乙酮 | 81590-38-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2,2-二苯基-1,3-苯并二氧戊环-5-基)-2-氯乙酮
• 英文名称: 2-chloro-3',4'-diphenylmethylenedioxyacetophenone
• 英文别名: Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-；2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)ethanone
• CAS: 81590-38-7
• 化学式: C₂₁H₁₅ClO₃
• 分子量: 350.801
• InChiKey: JNKDWKZIKYADJR-UHFFFAOYSA-N

物化性质

• 沸点：
  514.5±50.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2,2-二苯基-1,3-苯并二氧戊环-5-基)-2-氯乙酮 在 sodium tetrahydroborate 、 三乙胺 、 sodium iodide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 Ethyl 3-[benzyl-[2-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]propanoate
  参考文献：
  名称：

  Soft β-adrenergic agonists for the topical treatment of psoriasis

  摘要：

  The soft-drug 1 (R = Me, Et) and pro-soft-drug 3 have been prepared as models of topical anti-psoriatic beta-adrenergic agonists. The chemical hydrolysis of 3 proceeded via the acid 18 with a maximum stability at apparent pH similar to 4.0. In the presence of PLCE, the required metabolism of 3 to the soft-drug 1 (R = Et) was achieved, which slowly degraded to the dihydroxy acid 2. Soft-drug 1 (R = Et) was poorly transported across a silicone membrane, whereas the pro-soft-drug 3 was more efficient and the rate increased over the donor apparent pH range 3-8. Soft-drug 1 (R = Et) was a full beta-agonist on the guinea-pig tracheal preparation, whereas the pro-soft-drug 3 produced only slowly developing responses at high concentrations (>10 mu M).

  DOI：

  10.1016/s0223-5234(97)89848-0
• 作为产物：
  描述：

  二氯二苯甲烷 、 3,4-二羟基-2'-氯苯乙酮 以 甲苯 为溶剂， 反应 24.0h， 以89%的产率得到1-(2,2-二苯基-1,3-苯并二氧戊环-5-基)-2-氯乙酮
  参考文献：
  名称：

  WO2006/134352

  摘要：

  公开号：

文献信息

• METHOD FOR THE SYNTHESIS OF ANTHOCYANINS
  申请人：Bakstad Einar

  公开号：US20090111975A1

  公开（公告）日：2009-04-30

  The present invention relates to methods of preparing anthocyanins, and methods of preparing precursors of anthocyanins. The methods utilise a coupling reaction between a sugar and a suitable electrophilic precursor to form Eastern half intermediates that are then reacted with Western half intermediates to form the target anthocyanins. Some Eastern half intermediates and electrophilic precursors also form part of the invention.

  本发明涉及制备花青素的方法，以及制备花青素前体的方法。该方法利用糖与适当的亲电前体之间的偶联反应形成东半部分中间体，然后将其与西半部分中间体反应以形成目标花青素。一些东半部分中间体和亲电前体也是本发明的一部分。
• WO2006/134352
  申请人：——

  公开号：——

  公开（公告）日：——
• PHILLIPPS, G. H.;WILLIAMSON, C.
  作者：PHILLIPPS, G. H.、WILLIAMSON, C.

  DOI：——

  日期：——
• US8513395B2
  申请人：——

  公开号：US8513395B2

  公开（公告）日：2013-08-20
• Soft β-adrenergic agonists for the topical treatment of psoriasis
  作者：HS Gill、S Freeman、WJ Irwin、KA Wilson

  DOI：10.1016/s0223-5234(97)89848-0

  日期：1996.1

  The soft-drug 1 (R = Me, Et) and pro-soft-drug 3 have been prepared as models of topical anti-psoriatic beta-adrenergic agonists. The chemical hydrolysis of 3 proceeded via the acid 18 with a maximum stability at apparent pH similar to 4.0. In the presence of PLCE, the required metabolism of 3 to the soft-drug 1 (R = Et) was achieved, which slowly degraded to the dihydroxy acid 2. Soft-drug 1 (R = Et) was poorly transported across a silicone membrane, whereas the pro-soft-drug 3 was more efficient and the rate increased over the donor apparent pH range 3-8. Soft-drug 1 (R = Et) was a full beta-agonist on the guinea-pig tracheal preparation, whereas the pro-soft-drug 3 produced only slowly developing responses at high concentrations (>10 mu M).