(2-Chloro-6-fluorophenyl)methyl 4-bromobenzoate | 479376-12-0

• 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: (2-Chloro-6-fluorophenyl)methyl 4-bromobenzoate
• CAS: 479376-12-0
• 化学式: C₁₄H₉BrClFO₂
• 分子量: 343.58
• InChiKey: PXJRSSBDFMOORX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴苯甲酸 、 2-氯-6-氟苄醇 在 triphenylphosphine tagged with poly-(ethyleneglycol)-ω-monomethyl ether 、 diethyl azodicarboxylate tagged with poly-(ethyleneglycol)-ω-monomethyl ether 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以98 mol的产率得到(2-Chloro-6-fluorophenyl)methyl 4-bromobenzoate
  参考文献：
  名称：

  Synthesis of Arrays Using Low Molecular Weight MPEG-Assisted Mitsunobu Reaction

  摘要：

  Triphenylphosphine tagged with a short poly(ethyleneglycol)-omega-monomethyl ether chain (light MPEG, 10-16 ethylenoxy units, (TPP)-T-M-G2) and an MPEG-tagged version of diethyl azodicarboxylate ((M)DEAD) have been used to prepare a 20 member library of esters, ethers, and sulfonamides, with cLogP's in the range of 1.4-5.7 on a 0.1 mmol scale. Removal of MPEG-tagged side products was achieved by MPEG-assisted solid-phase extraction (MSPE) on prepacked silica columns to give the products in good yield and high purity.

  DOI：

  10.1021/co100091n

文献信息

• Synthesis of Arrays Using Low Molecular Weight MPEG-Assisted Mitsunobu Reaction
  作者：Marek Figlus、Natalie Wellaway、Anthony W. J. Cooper、Steven L. Sollis、Richard C. Hartley

  DOI：10.1021/co100091n

  日期：2011.5.9

  Triphenylphosphine tagged with a short poly(ethyleneglycol)-omega-monomethyl ether chain (light MPEG, 10-16 ethylenoxy units, (TPP)-T-M-G2) and an MPEG-tagged version of diethyl azodicarboxylate ((M)DEAD) have been used to prepare a 20 member library of esters, ethers, and sulfonamides, with cLogP's in the range of 1.4-5.7 on a 0.1 mmol scale. Removal of MPEG-tagged side products was achieved by MPEG-assisted solid-phase extraction (MSPE) on prepacked silica columns to give the products in good yield and high purity.