benzyloxy[2-13C]acetyl chloride | 741261-80-3

• 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: benzyloxy[2-13C]acetyl chloride
• 英文别名: 2-phenylmethoxyacetyl chloride
• CAS: 741261-80-3
• 化学式: C₉H₉ClO₂
• 分子量: 185.611
• InChiKey: QISAUDWTBBNJIR-CDYZYAPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-(-)-4-(1-Methylethyl)-<2-13C>-oxazolidine-2-selone 、 benzyloxy[2-13C]acetyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到2-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-selanylidene-(213C)1,3-oxazolidin-3-yl](213C)ethanone
  参考文献：
  名称：

  Synthesis of Chiral ¹³C,⁷⁷Se-Labeled Selones

  摘要：

  Stable isotope-labeled N-acyl selones have been constructed in fewer than four steps from readily available starting materials. Site-specific labeling was achieved using the following synthons: bromo [2-C-13] acetic acid, [C-13]formic acid, and elemental Se-77. These labeled selones have been found to provide unique insights into enolate structure and may be useful in the detection and quantitation of remotely disposed chiral centers in compounds in short supply.

  DOI：

  10.1021/jo049747o
• 作为产物：
  描述：

  phenylmethoxy-[2-13C]-acetic acid 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到benzyloxy[2-13C]acetyl chloride
  参考文献：
  名称：

  Synthesis of Chiral ¹³C,⁷⁷Se-Labeled Selones

  摘要：

  Stable isotope-labeled N-acyl selones have been constructed in fewer than four steps from readily available starting materials. Site-specific labeling was achieved using the following synthons: bromo [2-C-13] acetic acid, [C-13]formic acid, and elemental Se-77. These labeled selones have been found to provide unique insights into enolate structure and may be useful in the detection and quantitation of remotely disposed chiral centers in compounds in short supply.

  DOI：

  10.1021/jo049747o

文献信息

• Synthesis of Chiral ¹³C,⁷⁷Se-Labeled Selones
  作者：Morgane Ollivault-Shiflett、David B. Kimball、L. A. “Pete” Silks

  DOI：10.1021/jo049747o

  日期：2004.7.1

  Stable isotope-labeled N-acyl selones have been constructed in fewer than four steps from readily available starting materials. Site-specific labeling was achieved using the following synthons: bromo [2-C-13] acetic acid, [C-13]formic acid, and elemental Se-77. These labeled selones have been found to provide unique insights into enolate structure and may be useful in the detection and quantitation of remotely disposed chiral centers in compounds in short supply.