| 1424055-77-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1424055-77-5
• 化学式: C₁₁H₁₃NO₃
• 分子量: 207.229
• InChiKey: RCEIIRFXDGDOAU-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.56
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 苯甲酰氯 在 三乙胺 作用下， 生成 (E)-2-methyl-3-phenylallyl benzoyloxycarbamate
  参考文献：
  名称：

  Iron(II)-Catalyzed Intramolecular Aminohydroxylation of Olefins with Functionalized Hydroxylamines

  摘要：

  A diastereoselective aminohydroxylation of olefins with a functionalized hydroxylamine is catalyzed by new iron(II) complexes. This efficient intramolecular process readily affords synthetically useful amino alcohols with excellent selectivity (dr up to > 20:1). Asymmetric catalysis with chiral iron(II) complexes and preliminary mechanistic studies reveal an iron nitrenoid is a possible intermediate that can undergo either aminohydroxylation or aziridination, and the selectivity can be controlled by careful selection of counteranion/ligand combinations.

  DOI：

  10.1021/ja311923z
• 作为产物：
  描述：

  (E)-3-phenyl-2-methyl-2-propenol 、 N,N'-羰基二咪唑 在 咪唑 、 盐酸羟胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Iron-Catalyzed Intra-intermolecular Aminoazidation of Alkenes

  摘要：

  An intra-intermolecular iron-catalyzed aminoazidation of non-activated alkenes is reported for the preparation of imidazolidinone, oxazolidinone, and pyrrolidinone derivatives. The method uses cheap and abundant iron as a catalyst and commercially available TMSN3 as an azide source. This domino process allows, in a single operating step, for a ring-closure that generates an aza-heterocycle and the introduction of an azido appendage tethered to the heterocycle. The conditions developed offer a sustainable alternative method for the preparation of unsymmetrical vicinal diamine compounds.

  DOI：

  10.1021/acs.oprd.9b00400