(R)-(+)-1-(4-pyridylthio)propan-2-yl acetate | 464934-57-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (R)-(+)-1-(4-pyridylthio)propan-2-yl acetate
• 英文别名: [(2R)-1-pyridin-4-ylsulfanylpropan-2-yl] acetate
• CAS: 464934-57-4
• 化学式: C₁₀H₁₃NO₂S
• 分子量: 211.285
• InChiKey: JSLPIDVMDGJFPV-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-(+)-1-(4-pyridylthio)propan-2-yl acetate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 (R)-(-)-1-(4-pyridylthio)propan-2-ol
  参考文献：
  名称：

  Kinetic resolution of heteroaryl β-hydroxy sulfides catalyzed by Humicola lanuginosa lipase

  摘要：

  Humicola lanuginosa lipase-catalyzed resolution of heteroaryl substituted beta-hydroxy sulfides by irreversible transesterification using vinyl acetate as acylating agent is discussed. The ee of the resolved alcohols was determined from the H-1 NMR of their corresponding (S)-(+)-O-acetylmandelic acid esters. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00148-9
• 作为产物：
  描述：

  2-oxo-3-(4-pyridylthio)propane 在 sodium tetrahydroborate 、 Humicola lanuginosa lipase 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 (R)-(+)-1-(4-pyridylthio)propan-2-yl acetate
  参考文献：
  名称：

  Kinetic resolution of heteroaryl β-hydroxy sulfides catalyzed by Humicola lanuginosa lipase

  摘要：

  Humicola lanuginosa lipase-catalyzed resolution of heteroaryl substituted beta-hydroxy sulfides by irreversible transesterification using vinyl acetate as acylating agent is discussed. The ee of the resolved alcohols was determined from the H-1 NMR of their corresponding (S)-(+)-O-acetylmandelic acid esters. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00148-9

文献信息

• Kinetic resolution of heteroaryl β-hydroxy sulfides catalyzed by Humicola lanuginosa lipase
  作者：Swapandeep Singh Chimni、Satwinder Singh、Subodh Kumar、Savita Mahajan

  DOI：10.1016/s0957-4166(02)00148-9

  日期：2002.4

  Humicola lanuginosa lipase-catalyzed resolution of heteroaryl substituted beta-hydroxy sulfides by irreversible transesterification using vinyl acetate as acylating agent is discussed. The ee of the resolved alcohols was determined from the H-1 NMR of their corresponding (S)-(+)-O-acetylmandelic acid esters. (C) 2002 Elsevier Science Ltd. All rights reserved.