3-[8-(12-bromododecyldisulfanyl)octyl]-10-ethyl-10H-benzo[g]pteridine-2,4-dione | 253264-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 3-[8-(12-bromododecyldisulfanyl)octyl]-10-ethyl-10H-benzo[g]pteridine-2,4-dione
• 英文别名: 12-bromododecyl 8-(10-ethylisoalloxazine)octyl disulfide；3-[8-(12-bromododecyldisulfanyl)octyl]-10-ethylbenzo[g]pteridine-2,4-dione
• CAS: 253264-81-2
• 化学式: C₃₂H₄₉BrN₄O₂S₂
• 分子量: 665.803
• InChiKey: OMQJKQLZAOBDPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  41.0
• 可旋转键数：
  23.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  69.78
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-甲基噻唑 、 3-[8-(12-bromododecyldisulfanyl)octyl]-10-ethyl-10H-benzo[g]pteridine-2,4-dione 反应 18.0h， 以76%的产率得到3-{12-[8-(10-ethyl-2,4-dioxo-4,10-dihydro-2H-benzo[g]pteridin-3-yl)octylsulphanyl]dodecyl}-4-methylthiazol-3-ium bromide
  参考文献：
  名称：

  Synthesis of symmetrical and unsymmetrical alkyl disulfides with attached flavin analog for formation of self-assembled monolayers on gold

  摘要：

  We describe a general procedure for the synthesis of symmetrical and unsymmetrical disulfides with an attached flavin analog. Self-assembled monolayers of these disulfides on gold have potential applications as pH sensors and electrocatalysts, The use of a self-assembled monolayer prepared from one of these disulfides in probing the pH Of solutions is reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00836-4
• 作为产物：
  描述：

  1,12-二溴十二烷 在 碘 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 反应 24.25h， 生成 3-[8-(12-bromododecyldisulfanyl)octyl]-10-ethyl-10H-benzo[g]pteridine-2,4-dione
  参考文献：
  名称：

  Synthesis of symmetrical and unsymmetrical alkyl disulfides with attached flavin analog for formation of self-assembled monolayers on gold

  摘要：

  We describe a general procedure for the synthesis of symmetrical and unsymmetrical disulfides with an attached flavin analog. Self-assembled monolayers of these disulfides on gold have potential applications as pH sensors and electrocatalysts, The use of a self-assembled monolayer prepared from one of these disulfides in probing the pH Of solutions is reported. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00836-4