2-phenethoxypropanoic acid | 1013632-41-1

• 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: 2-phenethoxypropanoic acid
• 英文别名: 2-(2-Phenylethoxy)propanoic acid
• CAS: 1013632-41-1
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: XGYPBLQQQYXRFN-UHFFFAOYSA-N

物化性质

• 沸点：
  339.9±17.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-phenethoxypropanoic acid 、 methyl hydroxy(methyl)carbamodithioate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到methyl methyl(2-phenethoxypropanoyloxy)carbamodithioate
  参考文献：
  名称：

  Decarboxylative Radical Azidation Using MPDOC and MMDOC Esters

  摘要：

  An efficient radical-mediated decarboxylative azidation of aliphatic carboxylic acids has been developed. The success of this transformation hinges on the use of a new type of thiohydroxamate esters (MPDOC esters). These esters are more stable than the classical Barton esters and less prone to rearrange under radical conditions. In the case of alpha-alkoxy and alpha-amino acids, optimal results are obtained with the even more stable MMDOC esters developed recently by Kim.

  DOI：

  10.1021/ol702832x
• 作为产物：
  描述：

  苯乙醇 、 2-溴丙酸 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 以94%的产率得到2-phenethoxypropanoic acid
  参考文献：
  名称：

  Decarboxylative Radical Azidation Using MPDOC and MMDOC Esters

  摘要：

  An efficient radical-mediated decarboxylative azidation of aliphatic carboxylic acids has been developed. The success of this transformation hinges on the use of a new type of thiohydroxamate esters (MPDOC esters). These esters are more stable than the classical Barton esters and less prone to rearrange under radical conditions. In the case of alpha-alkoxy and alpha-amino acids, optimal results are obtained with the even more stable MMDOC esters developed recently by Kim.

  DOI：

  10.1021/ol702832x

文献信息

• AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES
  申请人：Alcaraz Lilian

  公开号：US20100056508A1

  公开（公告）日：2010-03-04

  The present invention provides compounds of formula (I), wherein k, Ar, R 2 , R 3 , R 4 , R 5 , R 4′ , R 5′ , R 6 , R 7 , A, D, m and E are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了公式（I）的化合物，其中k、Ar、R2、R3、R4、R5、R4'、R5'、R6、R7、A、D、m和E如规范中所定义，以及它们的制备方法、含有它们的制药组合物以及它们在治疗中的应用。
• Novel Compounds 621
  申请人：Alcaraz Lilian

  公开号：US20120142646A1

  公开（公告）日：2012-06-07

  The present invention provides compounds of formula (I) wherein k, Ar, R 2 , R 3 , R 4 , R 5 , R 4′ , R 5′ , R 6 , R 7 , A, D, m and E 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)的化合物，其中k，Ar，R2，R3，R4，R5，R4'，R5'，R6，R7，A，D，m和E的定义在说明书中，以及它们的制备方法，包含它们的药物组合物以及它们在治疗中的应用。
• US5763465A
  申请人：——

  公开号：US5763465A

  公开（公告）日：1998-06-09
• [EN] AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES<br/>[FR] DÉRIVÉS AMINÉS ET LEUR UTILISATION POUR LES MALADIES INDUITES PAR LE RÉCEPTEUR BÊTA-2 ADRÉNERGIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2008075025A1

  公开（公告）日：2008-06-26

  [EN] The present invention provides compounds of formula (I), wherein k, Ar, R², R³, R⁴, R⁵, R^4', R^5', R⁶, R⁷, A, D, m and E are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.
  [FR] La présente invention concerne des composés de formule (I), dans laquelle k, Ar, R², R³, R⁴, R⁵, R^4', R^5', R⁶, R⁷, A, D, m et E sont tels que définis dans la spécification, leurs procédés de préparation, des compositions pharmaceutiques qui les contiennent et leur utilisation thérapeutique.
• Decarboxylative Radical Azidation Using MPDOC and MMDOC Esters
  作者：Erich Nyfeler、Philippe Renaud

  DOI：10.1021/ol702832x

  日期：2008.3.1

  An efficient radical-mediated decarboxylative azidation of aliphatic carboxylic acids has been developed. The success of this transformation hinges on the use of a new type of thiohydroxamate esters (MPDOC esters). These esters are more stable than the classical Barton esters and less prone to rearrange under radical conditions. In the case of alpha-alkoxy and alpha-amino acids, optimal results are obtained with the even more stable MMDOC esters developed recently by Kim.