5-bromomethyl-1,3-dimethyl-2-nitrobenzene | 89210-31-1

• 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: 5-bromomethyl-1,3-dimethyl-2-nitrobenzene
• 英文别名: 2-(Bromomethyl)-1,3-dimethyl-5-nitrobenzene；2-(bromomethyl)-1,3-dimethyl-5-nitrobenzene
• CAS: 89210-31-1
• 化学式: C₉H₁₀BrNO₂
• 分子量: 244.088
• InChiKey: WKMKJIXIVRQQRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromomethyl-1,3-dimethyl-2-nitrobenzene 、 亚磷酸三乙酯 在 四丁基碘化铵 作用下， 以64.8%的产率得到diethyl 3,5-dimethyl-4-nitrobenzylphosphonate
  参考文献：
  名称：

  Multiple bond-conjugated photoinduced nitric oxide releaser working with two-photon excitation

  摘要：

  Four novel nitric oxide (NO) releasers working via two-photon excitation (TPE), based on an acceptor-donor-acceptor (A-D-A) molecular design, were synthesized. Their decomposition and NO release in response to one-photon excitation, and their decomposition in response to two-photon excitation were examined. Their photoinduced decomposition characteristics are discussed. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.120
• 作为产物：
  描述：

  (3,5-dimethyl-4-nitrophenyl)methanol 在 三溴化磷 作用下， 反应 2.0h， 以87.9%的产率得到5-bromomethyl-1,3-dimethyl-2-nitrobenzene
  参考文献：
  名称：

  Multiple bond-conjugated photoinduced nitric oxide releaser working with two-photon excitation

  摘要：

  Four novel nitric oxide (NO) releasers working via two-photon excitation (TPE), based on an acceptor-donor-acceptor (A-D-A) molecular design, were synthesized. Their decomposition and NO release in response to one-photon excitation, and their decomposition in response to two-photon excitation were examined. Their photoinduced decomposition characteristics are discussed. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.120

文献信息

• Multiple bond-conjugated photoinduced nitric oxide releaser working with two-photon excitation
  作者：Kazuhiro Hishikawa、Hidehiko Nakagawa、Toshiaki Furuta、Kiyoshi Fukuhara、Hiroki Tsumoto、Takayoshi Suzuki、Naoki Miyata

  DOI：10.1016/j.bmcl.2009.10.120

  日期：2010.1

  Four novel nitric oxide (NO) releasers working via two-photon excitation (TPE), based on an acceptor-donor-acceptor (A-D-A) molecular design, were synthesized. Their decomposition and NO release in response to one-photon excitation, and their decomposition in response to two-photon excitation were examined. Their photoinduced decomposition characteristics are discussed. (c) 2009 Elsevier Ltd. All rights reserved.