2-{4-[(benzyloxy)methyl]-3-nitrophenyl}-2-oxoethyl hexadecanoate | 1240386-34-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-{4-[(benzyloxy)methyl]-3-nitrophenyl}-2-oxoethyl hexadecanoate
• 英文别名: [2-[3-Nitro-4-(phenylmethoxymethyl)phenyl]-2-oxoethyl] hexadecanoate；[2-[3-nitro-4-(phenylmethoxymethyl)phenyl]-2-oxoethyl] hexadecanoate
• CAS: 1240386-34-8
• 化学式: C₃₂H₄₅NO₆
• 分子量: 539.712
• InChiKey: IMSICZGJFNSOKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  39
• 可旋转键数：
  22
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-{4-[(benzyloxy)methyl]-3-nitrophenyl}-2-oxoethyl hexadecanoate 以 乙腈 为溶剂， 以93%的产率得到苯甲醇
  参考文献：
  名称：

  Orthogonal Photocleavage of a Monochromophoric Linker

  摘要：

  The 4-acetyl-2-nitrobenzyl moiety, substituted in both benzylic and phenacyl positions with leaving groups, has been proposed as a monochromophoric photocleavable linker. The attached groups can be disconnected selectively and orthogonally upon irradiation.

  DOI：

  10.1021/ja1047736
• 作为产物：
  描述：

  1-{4-[(benzyloxy)methyl]-3-nitrophenyl}-2-bromoethanone 、 棕榈酸 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 以38 mg的产率得到2-{4-[(benzyloxy)methyl]-3-nitrophenyl}-2-oxoethyl hexadecanoate
  参考文献：
  名称：

  Orthogonal Photocleavage of a Monochromophoric Linker

  摘要：

  The 4-acetyl-2-nitrobenzyl moiety, substituted in both benzylic and phenacyl positions with leaving groups, has been proposed as a monochromophoric photocleavable linker. The attached groups can be disconnected selectively and orthogonally upon irradiation.

  DOI：

  10.1021/ja1047736

文献信息

• Orthogonal Photocleavage of a Monochromophoric Linker
  作者：Laxminarayana Kammari、Tomáš Šolomek、Bokolombe Pitchou Ngoy、Dominik Heger、Petr Klán

  DOI：10.1021/ja1047736

  日期：2010.8.25

  The 4-acetyl-2-nitrobenzyl moiety, substituted in both benzylic and phenacyl positions with leaving groups, has been proposed as a monochromophoric photocleavable linker. The attached groups can be disconnected selectively and orthogonally upon irradiation.