(R)-4'-(1-acetyloxyethyl)acetophenone | 185144-39-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-4'-(1-acetyloxyethyl)acetophenone
• 英文别名: (1R)-1-(4-Acetylphenyl)ethyl acetate；[(1R)-1-(4-acetylphenyl)ethyl] acetate
• CAS: 185144-39-2
• 化学式: C₁₂H₁₄O₃
• 分子量: 206.241
• InChiKey: RHIRURAREZOQLU-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-4'-(1-acetyloxyethyl)acetophenone 在 吡啶 、 硼氘化钠 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Differentiation and assignment of the proton NMR signals in the bis-MTPA ester of meso-α,α′-dimethyl-1,4-benzenedimethanol

  摘要：

  NaBH4 reduction of one ketone in 1,4-diacetylbenzene followed by Amano PS catalyzed acylation of the R enantiomer, separation of the R acetate from the S alcohol, and reduction of the remaining ketone in each with NaBD4, has provided two mixtures of monodeuterated diol diastereomers: R,R(d) plus R,S(d) and S,R(d) plus S,S(d). Conversion of the unseparated diols into their bis-(R)-MTPA (Mosher's) esters has allowed the NMR signals arising from the C-methyl groups at the R and the S ends of meso-alpha,alpha-dimethyl-1,4-benzenedimethanol bis-(R)-MTPA ester to be assigned unequivocally. Copyright (C) 1996 Published by Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00378-3
• 作为产物：
  描述：

  1,4-二乙酰苯 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 反应 28.0h， 生成 (R)-4'-(1-acetyloxyethyl)acetophenone
  参考文献：
  名称：

  Differentiation and assignment of the proton NMR signals in the bis-MTPA ester of meso-α,α′-dimethyl-1,4-benzenedimethanol

  摘要：

  NaBH4 reduction of one ketone in 1,4-diacetylbenzene followed by Amano PS catalyzed acylation of the R enantiomer, separation of the R acetate from the S alcohol, and reduction of the remaining ketone in each with NaBD4, has provided two mixtures of monodeuterated diol diastereomers: R,R(d) plus R,S(d) and S,R(d) plus S,S(d). Conversion of the unseparated diols into their bis-(R)-MTPA (Mosher's) esters has allowed the NMR signals arising from the C-methyl groups at the R and the S ends of meso-alpha,alpha-dimethyl-1,4-benzenedimethanol bis-(R)-MTPA ester to be assigned unequivocally. Copyright (C) 1996 Published by Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00378-3

文献信息

• Differentiation and assignment of the proton NMR signals in the bis-MTPA ester of meso-α,α′-dimethyl-1,4-benzenedimethanol
  作者：Bruce W. Baldwin、Cary J. Morrow

  DOI：10.1016/0957-4166(96)00378-3

  日期：1996.10

  NaBH4 reduction of one ketone in 1,4-diacetylbenzene followed by Amano PS catalyzed acylation of the R enantiomer, separation of the R acetate from the S alcohol, and reduction of the remaining ketone in each with NaBD4, has provided two mixtures of monodeuterated diol diastereomers: R,R(d) plus R,S(d) and S,R(d) plus S,S(d). Conversion of the unseparated diols into their bis-(R)-MTPA (Mosher's) esters has allowed the NMR signals arising from the C-methyl groups at the R and the S ends of meso-alpha,alpha-dimethyl-1,4-benzenedimethanol bis-(R)-MTPA ester to be assigned unequivocally. Copyright (C) 1996 Published by Elsevier Science Ltd