1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine | 5895-42-1

• 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: 1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine
• 英文别名: 1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-phenylimidazolidine
• CAS: 5895-42-1
• 化学式: C₁₇H₂₀N₂O₄S₂
• 分子量: 380.5
• InChiKey: JMRKYWBFPGUVEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• AN IODINE CATALYSED PROCESS FOR PREPARING HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS
  申请人：Fundació Institut Català D'investigació Quimica

  公开号：EP3093287A1

  公开（公告）日：2016-11-16

  The present invention relates to a process for preparing a 5- or 6-membered nitrogen-containing heterocyclic compound which comprises contacting a compound comprising a (C4-C5)alkylsulfonamide moiety, with a source of iodine and a metal-free oxidant; wherein: the compound comprising a (C4-C5)alkylsulfonamide moiety is capable of suffering an intramolecular cyclization converting a C-H bond into a C-N bond, in order to form a 5- or 6-membered nitrogen-containing heterocyclic ring; the amount of the iodine source is comprised from 0.5 mol% to 50 mol% of the moles of the compound comprising a (C4-C5)alkylsulfonamide moiety; and the amount of metal-free oxidant is comprised from 1 to 5 equivalents of the compound comprising a (C4-C5)alkylsulfonamide moiety; and the process is carried out at a temperature comprised from 0°C to 50°C in the presence of an organic solvent and under exposure to a source of light; a compound of formula I(OCOR11); its use as a catalyst upon light irradiation; and a compound of formula [I(OCOR11)2]M.

  本发明涉及一种制备 5 或 6 元含氮杂环化合物的工艺，该工艺包括将包含 (C4-C5)烷基磺酰胺基团的化合物与碘源和无金属氧化剂接触；其中：由(C4-C5)烷基磺酰胺基团组成的化合物能够发生分子内环化反应，将 C-H 键转化为 C-N 键，以形成 5 或 6 元含氮杂环； 碘源的量占(C4-C5)烷基磺酰胺基团的 0.5摩尔％至50摩尔％；无金属氧化剂的量为1至5当量的包含(C4-C5)烷基磺酰胺分子的化合物；式 I(OCOR11)化合物；其在光照射下用作催化剂；以及式 [I(OCOR11)2]M。