carbomethoxymethyl o-bromobenzyl sulfide | 122504-91-0

• 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: carbomethoxymethyl o-bromobenzyl sulfide
• 英文别名: Methyl 2-[(2-bromophenyl)methylsulfanyl]acetate
• CAS: 122504-91-0
• 化学式: C₁₀H₁₁BrO₂S
• mdl: MFCD14644254
• 分子量: 275.166
• InChiKey: UDQIZXFQMOUXCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  carbomethoxymethyl o-bromobenzyl sulfide 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 以54%的产率得到methyl (benzylthio)acetate
  参考文献：
  名称：

  Studies on DNA cleaving agents: synthesis and chemically induced cycloaromatization of a monocyclic neocarzinostatin chromophore analogue

  摘要：

  The synthesis of an acyclic analogue of neocarzinostatin chromophore is described. This analogue is found to undergo cycloaromatization in the presence of thiols; the process involves a previously undetected internal hydrogen abstraction reaction.

  DOI：

  10.1016/s0040-4039(00)93481-6
• 作为产物：
  描述：

  2-溴溴苄 在 氢氧化钾 、 zinc(II) iodide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.75h， 生成 carbomethoxymethyl o-bromobenzyl sulfide
  参考文献：
  名称：

  Babu, Suresh D.; Hrytsak, Michael D.; Durst, Tony, Canadian Journal of Chemistry, 1989, vol. 67, p. 1071 - 1076

  摘要：

  DOI：

文献信息

• Thio-Substituted Biarylmethanesulfinyl Derivatives
  申请人：Bacon Edward R.

  公开号：US20090062284A1

  公开（公告）日：2009-03-05

  The present invention is related to chemical compositions, processes for the preparation thereof and uses of the composition. Particularly, the present invention relates to compositions that include substituted biaryl-methanesulfinyl acetamides of Formula (I): wherein Ar, Y, R 1 , R 2 , R 4 , R 5 , q and x are as defined herein; and their use in the treatment of diseases, including treatment of sleepiness associated with narcolepsy, obstructive sleep apnea, or shift work disorder; Parkinson's disease; Alzheimer's disease; attention deficit disorder; attention deficit hyperactivity disorder; depression; or fatigue associated with a neurological disease; as well as the promotion of wakefulness.

  本发明涉及化学成分、其制备过程和成分的用途。特别地，本发明涉及包括式(I)中的取代的双芳基甲烷磺酰乙酰胺的组合物：其中Ar、Y、R1、R2、R4、R5、q和x如本文中所定义的；以及它们在治疗疾病中的应用，包括治疗与纳考雷普西、阻塞性睡眠呼吸暂停或轮班工作障碍相关的嗜睡症；帕金森病；阿尔茨海默病；注意力缺陷障碍；注意力缺陷多动障碍；抑郁症；或与神经疾病相关的疲劳，以及促进清醒。
• The synthesis and chemistry of a simplified, functional analogue of neocarzinostatin chromophore: identification of an intramolecular 1,5-hydrogen atom
  作者：Paul A. Wender、Mark J. Tebbe

  DOI：10.1016/s0040-4020(01)80627-x

  日期：1994.1

  The synthesis and chemistry of a monocyclic analogue of neocarzinostatin chromophore are described. This analogue is activated through a Michael addition process and provides cycloaromatized products similar to those obtained in the activation of neocarzinostatin chromophore. Mechanistic studies on this analogue have led to the first identification of a diyl self-quenching pathway based on a 1,5-hydrogen atom transfer that provides a novel hypothesis about the relationship between thiol structure and DNA single and double strand cleavage selectivity for neocarzinostatin chromophore and diyl-based cleaving agents.
• BABU, SURESH D.;HRYTSAK, MICHAEL D.;DURST, TONY, CAN. J. CHEM., 67,(1989) N, C. 1071-1076
  作者：BABU, SURESH D.、HRYTSAK, MICHAEL D.、DURST, TONY

  DOI：——

  日期：——
• US7449481B2
  申请人：——

  公开号：US7449481B2

  公开（公告）日：2008-11-11
• US7981907B2
  申请人：——

  公开号：US7981907B2

  公开（公告）日：2011-07-19