3-(2-Methyl-[1,3]dioxolan-2-ylmethyl)-5-phenyl-3-(toluene-4-sulfonyl)-pentanal | 594858-95-4

• 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: 3-(2-Methyl-[1,3]dioxolan-2-ylmethyl)-5-phenyl-3-(toluene-4-sulfonyl)-pentanal
• 英文别名: 3-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-3-(4-methylphenyl)sulfonyl-5-phenylpentanal；3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(4-methylphenyl)sulfonyl-5-phenylpentanal
• CAS: 594858-95-4
• 化学式: C₂₃H₂₈O₅S
• 分子量: 416.538
• InChiKey: KOZOQXNLYGVSKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-Methyl-[1,3]dioxolan-2-ylmethyl)-5-phenyl-3-(toluene-4-sulfonyl)-pentanal 在 甲醇 、 三氟化硼乙醚 、 potassium carbonate 、 calcium carbonate 、 mercury dichloride 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 5-hydroxy-3-phenethylcyclohex-2-enone
  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 、 叔丁基锂 、 臭氧 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-Methyl-[1,3]dioxolan-2-ylmethyl)-5-phenyl-3-(toluene-4-sulfonyl)-pentanal
  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.