4-[1,3]Dithiolan-2-ylmethyl-6-phenyl-4-(toluene-4-sulfonyl)-hexan-2-one | 594858-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[1,3]Dithiolan-2-ylmethyl-6-phenyl-4-(toluene-4-sulfonyl)-hexan-2-one
• 英文别名: 4-(1,3-Dithiolan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-6-phenylhexan-2-one；4-(1,3-dithiolan-2-ylmethyl)-4-(4-methylphenyl)sulfonyl-6-phenylhexan-2-one
• CAS: 594858-97-6
• 化学式: C₂₃H₂₈O₃S₃
• 分子量: 448.672
• InChiKey: JCARNHLDFSAQRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[1,3]Dithiolan-2-ylmethyl-6-phenyl-4-(toluene-4-sulfonyl)-hexan-2-one 在 calcium carbonate 、 mercury dichloride 作用下， 以 乙腈 为溶剂， 以55%的产率得到5-oxo-3-phenethyl-3-[(4-methylphenyl)sulfonyl]hexanal
  参考文献：
  名称：

  Synthesis of 3-alkyl-5-hydroxycyclohex-2-enones via aldolic addition/sulfinate elimination tandem reactions

  摘要：

  The first synthesis of 3-alkyl-5-hydroxycyclohex-2-enones is reported. An intramolecular cyclization by means of an aldolic addition/sulfinate elimination tandem reactions, performed under mild basic conditions was the key step. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01085-2
• 作为产物：
  描述：

  2-methyl-2-[2-(toluene-4-sulfonyl)-ethyl]-[1,3]dioxolane 在 正丁基锂 、 三氟化硼乙醚 、 叔丁基锂 、 臭氧 作用下， 以 四氢呋喃 为溶剂， 生成 4-[1,3]Dithiolan-2-ylmethyl-6-phenyl-4-(toluene-4-sulfonyl)-hexan-2-one
  参考文献：
  名称：

  Synthesis of 3-alkyl-5-hydroxycyclohex-2-enones via aldolic addition/sulfinate elimination tandem reactions

  摘要：

  The first synthesis of 3-alkyl-5-hydroxycyclohex-2-enones is reported. An intramolecular cyclization by means of an aldolic addition/sulfinate elimination tandem reactions, performed under mild basic conditions was the key step. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01085-2

文献信息

• Synthesis of 3-alkyl-5-hydroxycyclohex-2-enones via aldolic addition/sulfinate elimination tandem reactions
  作者：Enrique Pandolfi、Horacio Comas

  DOI：10.1016/s0040-4039(03)01085-2

  日期：2003.6

  The first synthesis of 3-alkyl-5-hydroxycyclohex-2-enones is reported. An intramolecular cyclization by means of an aldolic addition/sulfinate elimination tandem reactions, performed under mild basic conditions was the key step. (C) 2003 Elsevier Science Ltd. All rights reserved.