(S)-tert-butyl-N-[3-(4-chloro-3-methylphenoxy)-1-hydroxypropan-2-yl]carbamate | 952196-82-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (S)-tert-butyl-N-[3-(4-chloro-3-methylphenoxy)-1-hydroxypropan-2-yl]carbamate
• 英文别名: tert-butyl N-[(2S)-1-(4-chloro-3-methylphenoxy)-3-hydroxypropan-2-yl]carbamate
• CAS: 952196-82-6
• 化学式: C₁₅H₂₂ClNO₄
• 分子量: 315.797
• InChiKey: KWUREPQWBIMXJZ-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl-N-[3-(4-chloro-3-methylphenoxy)-1-hydroxypropan-2-yl]carbamate 在 N-甲基咪唑 、 三甲基溴硅烷 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 27.0h， 生成 (R)-2-amino-3-(4-chloro-3-methylphenoxy)propyl dihydrogenphosphate
  参考文献：
  名称：

  Straightforward Access to Simplified Sphingosine‐1‐phosphate Analogues

  摘要：

  A straightforward approach for the synthesis of a new series of amino phosphates structurally related to sphingosine-1-phosphate is described. The commercial availability of the required starting building blocks, the reduced number of steps, and the ease of purification of the intermediate and final compounds make the approach amenable to combinatorial protocols.

  DOI：

  10.1080/00397910701466030
• 作为产物：
  描述：

  4-氯-3-甲基苯酚 在 sodium hydride 、 对甲苯磺酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (S)-tert-butyl-N-[3-(4-chloro-3-methylphenoxy)-1-hydroxypropan-2-yl]carbamate
  参考文献：
  名称：

  Straightforward Access to Simplified Sphingosine‐1‐phosphate Analogues

  摘要：

  A straightforward approach for the synthesis of a new series of amino phosphates structurally related to sphingosine-1-phosphate is described. The commercial availability of the required starting building blocks, the reduced number of steps, and the ease of purification of the intermediate and final compounds make the approach amenable to combinatorial protocols.

  DOI：

  10.1080/00397910701466030

文献信息

• Straightforward Access to Simplified Sphingosine‐1‐phosphate Analogues
  作者：Santiago Grijalvo、Amadeu Llebaria、Antonio Delgado

  DOI：10.1080/00397910701466030

  日期：2007.8

  A straightforward approach for the synthesis of a new series of amino phosphates structurally related to sphingosine-1-phosphate is described. The commercial availability of the required starting building blocks, the reduced number of steps, and the ease of purification of the intermediate and final compounds make the approach amenable to combinatorial protocols.