N-allyl-N-phenethylcarbamic acid tert-butyl ester | 182920-99-6

• 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: N-allyl-N-phenethylcarbamic acid tert-butyl ester
• 英文别名: allyl-phenethyl-carbamic acid tert-butyl ester；tert-butyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
• CAS: 182920-99-6
• 化学式: C₁₆H₂₃NO₂
• mdl: MFCD24393260
• 分子量: 261.364
• InChiKey: ADORZBHHPGZHGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  352.4±22.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.437
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-allyl-N-phenethylcarbamic acid tert-butyl ester 在 sodium cyanotrihydroborate 、 偶氮二异丁腈 、 三氧化硫吡啶 、 溶剂黄146 作用下， 生成 tert-butyl {3-[(2-{[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)thio]propyl}(2-phenylethyl)carbamate
  参考文献：
  名称：

  Design-driven LO: The discovery of new ultra long acting dibasic β2-adrenoceptor agonists

  摘要：

  Starting with the molecular scaffold of the DA(2)/beta(2) dual agonist sibenadet ( Viozan (TM)), a number of molecular changes were incorporated, which were designed to increase the potency and selectivity of the target molecule, and improve its pharmacokinetics. Through this process a novel, high potency, full beta(2)-agonist with high selectivity and long duration capable of being dosed once daily has been discovered. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.05.097
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 sodium hydride 、 三乙胺 作用下， 生成 N-allyl-N-phenethylcarbamic acid tert-butyl ester
  参考文献：
  名称：

  Design-driven LO: The discovery of new ultra long acting dibasic β2-adrenoceptor agonists

  摘要：

  Starting with the molecular scaffold of the DA(2)/beta(2) dual agonist sibenadet ( Viozan (TM)), a number of molecular changes were incorporated, which were designed to increase the potency and selectivity of the target molecule, and improve its pharmacokinetics. Through this process a novel, high potency, full beta(2)-agonist with high selectivity and long duration capable of being dosed once daily has been discovered. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.05.097

文献信息

• 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists
  申请人：Bailey Andrew

  公开号：US20090221653A1

  公开（公告）日：2009-09-03

  The present invention provides compounds of formula (I) wherein the variables are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）化合物，其中变量如规范中定义，其制备过程，包含它们的制药组合物以及它们在治疗中的使用。
• Heterocyclic substituted piperazinone derivatives
  申请人：Hoechst Marion Roussel Inc.

  公开号：US05840726A1

  公开（公告）日：1998-11-24

  The present invention relates to substituted piperazinone derivatives (compounds of formula (1)) or stereoisomers, or pharmaceutically acceptable salts thereof and their use as tachykinin receptor antagonists. Such antagonists are useful in the treatment of tachykinin-mediated diseases and conditions disclosed herein including: asthma, cough, and bronchitis. The present invention also relates to intermediates useful in the preparation of compounds of formula (1).

  本发明涉及替代哌嗪酮衍生物（式（1）化合物）或立体异构体，或其药学上可接受的盐，并将其用作快速肽受体拮抗剂。这样的拮抗剂在治疗本文所披露的快速肽介导的疾病和病况中是有用的，包括：哮喘、咳嗽和支气管炎。本发明还涉及在制备式（1）化合物中有用的中间体。
• WO2007/27134
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2008/41914
  申请人：——

  公开号：——

  公开（公告）日：——
• HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP0815105B1

  公开（公告）日：2001-10-04