(2S,3S,4R)-2-(2-hydroxyethyl)-2-phenylsulfonylmethyl-3,4-isopropylidenedioxypyrrolidine | 1341196-82-4

• 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: (2S,3S,4R)-2-(2-hydroxyethyl)-2-phenylsulfonylmethyl-3,4-isopropylidenedioxypyrrolidine
• 英文别名: 2-[(3aS,4S,6aR)-4-(benzenesulfonylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanol
• CAS: 1341196-82-4
• 化学式: C₁₆H₂₃NO₅S
• 分子量: 341.428
• InChiKey: BGLBHOXCLOYKEA-IIAWOOMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  93.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S,3S,4R)-2-(2-hydroxyethyl)-2-phenylsulfonylmethyl-3,4-isopropylidenedioxypyrrolidine 在 甲醇 、 sodium-mercury amalgam (5%) 作用下， 反应 20.0h， 以57%的产率得到(2S,3S,4R)-2-(2-hydroxyethyl)-2-methyl-3,4-isopropylidenedioxypyrrolidine
  参考文献：
  名称：

  Sulfone chemistry for the synthesis of C-branched pyrrolidines

  摘要：

  The synthesis of a C-branched homopyrrolidinol has been achieved by making use of the reactivity of the sulfone group in four different ways. The stereochemistry of the two compounds has been established by X-ray diffraction analysis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.08.001
• 作为产物：
  描述：

  (2R,3S,4R)-2-phenylsulfonylmethyl-1-hydroxy-3,4-isopropylidenedioxypyrrolidine 在 甲醇 、 manganese(IV) oxide 、 sodium-mercury amalgam (5%) 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 28.0h， 生成 (2S,3S,4R)-2-(2-hydroxyethyl)-2-phenylsulfonylmethyl-3,4-isopropylidenedioxypyrrolidine
  参考文献：
  名称：

  Sulfone chemistry for the synthesis of C-branched pyrrolidines

  摘要：

  The synthesis of a C-branched homopyrrolidinol has been achieved by making use of the reactivity of the sulfone group in four different ways. The stereochemistry of the two compounds has been established by X-ray diffraction analysis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.08.001

文献信息

• Sulfone chemistry for the synthesis of C-branched pyrrolidines
  作者：Mari F. Flores、Pilar García、Narciso M. Garrido、Isidro S. Marcos、Francisca Sanz、David Díez

  DOI：10.1016/j.tetasy.2011.08.001

  日期：2011.7

  The synthesis of a C-branched homopyrrolidinol has been achieved by making use of the reactivity of the sulfone group in four different ways. The stereochemistry of the two compounds has been established by X-ray diffraction analysis. (C) 2011 Elsevier Ltd. All rights reserved.