4-methoxybenzyl cyanate | 920033-67-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxybenzyl cyanate
• 英文别名: (4-Methoxyphenyl)methyl cyanate
• CAS: 920033-67-6
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: SJZAXZLWJIWSAP-UHFFFAOYSA-N

物化性质

• 沸点：
  97-99 °C(Press: 3 Torr)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲氧基苄胺 在 硫酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 4-methoxybenzyl cyanate
  参考文献：
  名称：

  Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates

  摘要：

  Silylation of a series of aliphatic, carbocyclic, and fatty-aromatic amines gave the corresponding silyl derivatives whose yield depended on the electronic and steric structure of the substrate and the nature of the silylating agent. The yield of isocyanates obtained by phosgenation of the silyl derivatives under mild conditions decreased in going from aliphatic amines to benzylamines and rose as the length of the alkyl chain in fatty-aromatic amines extended. The most convenient procedure for the synthesis of low-boiling alkyl isocyanates was found to be based on the transformation of amines or ammonium salts into silyl or silyl silyl-carabamates. followed by pyrolysis of the latter in the presence of trichloro(phenyl)silane.

  DOI：

  10.1134/s1070363206030182

文献信息

• PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN
  申请人：Flores Christopher M.

  公开号：US20110319400A1

  公开（公告）日：2011-12-29

  Disclosed are compounds, compositions and methods for treating pain, including inflammatory, visceral, and acute pain. Such compounds are represented by Formula (I) as follows: wherein A 1 , L 1 , D, and Q are defined herein.

  披露了用于治疗疼痛的化合物、组合物和方法，包括炎症性、内脏性和急性疼痛。这些化合物由以下式（I）表示： 其中A1、L1、D和Q在此处定义。
• Reactions of Charged Substrates. 8. The Nucleophilic Substitution Reactions of (4-Methoxybenzyl)dimethylsulfonium Chloride
  作者：Neil Buckley、Norman J. Oppenheimer

  DOI：10.1021/jo9620977

  日期：1997.2.1

  product ratios suggests that at low [Nu] reaction occurs simultaneously through concerted Hughes-Ingold S(N)2 and preassociation-concerted mechanisms. At high [Nu], displacement occurs only through the preassociation-concerted mechanism. Comparison of these results with data for gas-phase dissociation of benzyl dimethylsulfoniums and with solution results for benzyl pyridiniums suggests that the intrinsic

  仅对于具有中等硬度的亲核试剂，发生在标题化合物（1）上的置换反应。反应的亲核试剂显示出多种机制。1通过混合的S（N）1 / S（N）2机理与中性亲核吡啶-d（5）反应；加入盐以控制离子强度会影响单分子过程的速率，但对双分子速率常数没有影响。N（3）（-）和SO（3）（2）（-）取代的机理取决于是否存在外源盐。在恒定的离子强度下，机理是在[Nu]的大部分范围内混合S（N）1 / S（N）2。仅存在亲核试剂时，k（obsd）对[Nu]的图显示出严重的断裂，这不是盐效应的结果。速率常数和产物比率的分析表明，在低[Nu]反应下，会通过协调的休斯-英戈尔德S（N）2和预先缔合的机制同时发生。在高[Nu]时，位移仅通过预先关联确认的机制发生。将这些结果与苄基二甲基ulf的气相解离数据和苄基吡啶鎓的溶液结果进行比较表明，中间体的内在稳定性不一定决定其机理。
• Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof
  申请人：Hosmane Ramachandra S.

  公开号：US20110275588A1

  公开（公告）日：2011-11-10

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.

  本发明涵盖了新型化合物及其药学上可接受的盐和包含这些化合物或其药学上可接受的盐的治疗或预防有效量的组合物。本发明还涵盖了用于治疗或预防与异常细胞生长相关的疾病和疾病的方法，例如，治疗或预防癌症或肿瘤生长的方法，其中包括向需要治疗的哺乳动物投与本发明化合物或其药学上可接受的盐的治疗或预防有效量的组合物。
• TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY
  申请人：Chimmanamada Dinesh U.

  公开号：US20120202813A1

  公开（公告）日：2012-08-09

  The present invention relates to substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for preventing or treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a composition comprising such a compound.

  本发明涉及取代的三唑化合物和包含取代的三唑化合物的组合物。本发明还涉及一种在需要抑制Hsp90活性的受体中抑制Hsp90活性的方法，并涉及一种预防或治疗过度增殖性疾病（如癌症）的方法，其中包括向受体中注射本发明的取代三唑化合物或包含该化合物的组合物。
• PROKINETICIN 1 RECEPTOR ANTAGONISTS
  申请人：Coats Steven J.

  公开号：US20120028997A1

  公开（公告）日：2012-02-02

  The present invention relates to certain novel compounds of Formula (I): and methods for preparing these compounds, compositions, intermediates and derivatives thereof and for the treatment of prokineticin 1 or prokinetin 1 receptor mediated disorders.