4-decyloxyphenyl isocyanate | 55835-02-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-decyloxyphenyl isocyanate
• 英文别名: 1-(Decyloxy)-4-isocyanatobenzene；1-decoxy-4-isocyanatobenzene
• CAS: 55835-02-4
• 化学式: C₁₇H₂₅NO₂
• 分子量: 275.391
• InChiKey: DFCNGQZLXRETNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-decyloxyphenyl isocyanate 、 丙酮肟 以 甲苯 为溶剂， 反应 1.17h， 生成 propan-2-one, O-[[(4-decyloxy-phenyl)amino]carbonyl]oxime
  参考文献：
  名称：

  氨基甲酸酯肟—发现一系列新型FAAH抑制剂

  摘要：

  一系列新的肟氨基甲酸酯已被确定为内源性大麻素信号系统关键调节酶脂肪酸酰胺水解酶（FAAH）的有效抑制剂。在这封信中，介绍了这种新型FAAH抑制剂的发现和生物学评估背后的原理。讨论了选定靶标的体外和体内结果，以及抑制动力学和分子模型研究。1个

  DOI：

  10.1016/j.bmcl.2009.11.080
• 作为产物：
  描述：

  三光气 、 4-癸烷氧基苯胺 在 三乙胺 作用下， 以 苯 为溶剂， 反应 4.0h， 以67%的产率得到4-decyloxyphenyl isocyanate
  参考文献：
  名称：

  Comparison of Base‐Promoted and Self‐Catalyzed Conditions in the Synthesis of Isocyanates from Amines Using Triphosgene

  摘要：

  Comparison of base-promoted and self-catalyzed conditions for the synthesis of isocyanates from amines and triphosgene shows no advantage in using an amine base in the majority of cases. The workup and isolation of the product is simplified under base-free conditions. Yields of between 50 and 90% after distillation were common. Only acid-sensitive substrates need a base catalyst.

  DOI：

  10.1080/00397910601055156

文献信息

• Fourfold tetraurea calix[4]arenes—potential cores for the formation of self-assembled dendrimers
  作者：Yuliya Rudzevich、Karl Fischer、Manfred Schmidt、Volker Böhmer

  DOI：10.1039/b509948j

  日期：——

  Wide rim tetraurea calix[4]arenes monofunctionalized at the narrow rim by COOH or NH2 have been synthesized in five steps from t-butylcalix[4]arene tripropylether. Their covalent linkage via the narrow rim to a central calix[4]arene fixed in the 1,3-alternate conformation led to pentacalix[4]arenes 9 bearing four tetraurea derivatives in the cone conformation in a flexible tetrahedral arrangement.

  由叔丁基杯[4]芳烃三丙醚经五步合成了在CO 2或NH 2的作用下在窄边单官能化的宽边四脲杯[4]芳烃。它们通过狭窄的边缘与固定在1,3-交替构象中的中心杯[4]芳烃的共价键合导致五元螺旋[4]芳烃9带有呈柔性四面体排列的圆锥构象中的四个四脲衍生物。在不同条件下研究了它们通过形成氢键合二聚体胶囊的自组装。1 H NMR光谱和动态光散射证实了类型9的四-四脲衍生物与四甲苯脲10的四重异二聚。
• Cizmarik; Borovansky; Tumova, Pharmazie, 1987, vol. 42, # 10, p. 702 - 703
  作者：Cizmarik、Borovansky、Tumova

  DOI：——

  日期：——
• CIZMARIK, J.;BOROVANSKY, A.;TUMOVA, I., PHARMAZIE, 42,(1987) N 10, 702-703
  作者：CIZMARIK, J.、BOROVANSKY, A.、TUMOVA, I.

  DOI：——

  日期：——
• Oxime Carbamate—Discovery of a series of novel FAAH inhibitors
  作者：S.Y. Sit、Charles M. Conway、Kai Xie、Robert Bertekap、Clotilde Bourin、Kevin D. Burris

  DOI：10.1016/j.bmcl.2009.11.080

  日期：2010.2

  A series of novel oxime carbamates have been identified as potent inhibitors of the key regulatory enzyme of the endocannabinoid signaling system, fatty acid amide hydrolase (FAAH). In this Letter, the rationale behind the discovery and the biological evaluations of this novel class of FAAH inhibitors are presented. Both in vitro and in vivo results of selected targets are discussed, along with inhibition

  一系列新的肟氨基甲酸酯已被确定为内源性大麻素信号系统关键调节酶脂肪酸酰胺水解酶（FAAH）的有效抑制剂。在这封信中，介绍了这种新型FAAH抑制剂的发现和生物学评估背后的原理。讨论了选定靶标的体外和体内结果，以及抑制动力学和分子模型研究。1个
• Comparison of Base‐Promoted and Self‐Catalyzed Conditions in the Synthesis of Isocyanates from Amines Using Triphosgene
  作者：Yiannis C. Charalambides、Stephen C. Moratti

  DOI：10.1080/00397910601055156

  日期：2007.3.1

  Comparison of base-promoted and self-catalyzed conditions for the synthesis of isocyanates from amines and triphosgene shows no advantage in using an amine base in the majority of cases. The workup and isolation of the product is simplified under base-free conditions. Yields of between 50 and 90% after distillation were common. Only acid-sensitive substrates need a base catalyst.