3-(but-3-en-1-yloxy)benzoic acid | 852878-40-1

• 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: 3-(but-3-en-1-yloxy)benzoic acid
• 英文别名: 3-but-3-enyloxy-benzoic acid；3-but-3-enoxybenzoic acid
• CAS: 852878-40-1
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: AAIOPGIXZLBDIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  3-(but-3-en-1-yloxy)benzoic acid 在 草酰氯 、 potassium carbonate 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 生成 3-(but-3-en-1-yloxy)-N-methoxybenzamide
  参考文献：
  名称：

  Rh(iii)-Catalyzed intramolecular redox-neutral cyclization of alkenes via C–H activation

  摘要：

  生物学上引人关注的融合多环内酰胺已通过一种分子内氧化还原中性环化过程制备。通过适当选择带有多种侧链烯烃的底物，可以激活并功能化较不利的C-H键。这种C-H键的活化在温和条件下进行，无需外部氧化剂，并且对取代基具有广泛的适用性。

  DOI：

  10.1039/c4cc00029c
• 作为产物：
  描述：

  3-羟基苯甲酸甲酯 在 偶氮二甲酸二异丙酯 、 三苯基膦 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 12.0h， 生成 3-(but-3-en-1-yloxy)benzoic acid
  参考文献：
  名称：

  Chiral Cyclopentadienyl Ligands Enable a Rhodium(III)-Catalyzed Enantioselective Access to Hydroxychromanes and Phthalides

  摘要：

  The demand for efficient chiral cyclopentadienyl ligands (Cp-x) has increased significantly in recent years, partly because Cp*Rh(III) species have been developed as powerful catalysts for directed C-H functionalization reactions. However, a lack of suitable Cp-x ligands has hampered the development of the corresponding enantioselective processes. We report expansions of the libraries of two generations of Cp-x ligands and their corresponding rhodium(I) complexes. The potential of the rhodium complexes as catalysts was evaluated in enantioselective C-H functionalizations involving cyclizations across tethered aldehydes. The mild reaction conditions permit the syntheses of hydroxychromanes and phthalides in good yields and high enantioselectivities.

  DOI：

  10.1055/s-0034-1380765

文献信息

• Rhodium(III)-Catalyzed Intramolecular Hydroarylation, Amidoarylation, and Heck-type Reaction: Three Distinct Pathways Determined by an Amide Directing Group
  作者：Tyler A. Davis、Todd K. Hyster、Tomislav Rovis

  DOI：10.1002/anie.201307631

  日期：2013.12.23

  reaction pathways of a wide variety of tethered alkenes can be accessed through changing the amide directing group. This provides an efficient route to a myriad of complex polycyclic products, many containing newly formed all‐carbon quaternary centers. Amidoarylations can diastereoselectively deliver products with up to three contiguous stereocenters.

  酰胺决定：通过改变酰胺导向基团，可以实现多种束缚烯烃的三种不同的铑(III)催化反应途径。这为生产无数复杂的多环产物提供了一条有效的途径，其中许多含有新形成的全碳四元中心。酰胺芳基化可以非对映选择性地提供具有多达三个连续立体中心的产物。
• [EN] MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF<br/>[FR] LACTAMES MACROCYCLIQUES ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：NOVARTIS AG

  公开号：WO2005049585A1

  公开（公告）日：2005-06-02

  The present invention relates to novel macrocyclic compounds of the formula (I) wherein R1, R2, R3, U, V, W, X, Y, Z and n are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as pharmaceuticals and to pharma­ceutical compositions comprising them.

  本发明涉及以下式（I）的新型大环化合物，其中R1、R2、R3、U、V、W、X、Y、Z和n如规范中所定义，大环环中包含的环原子数为14、15、16或17，以自由碱形式或酸盐形式存在，以及它们的制备方法，用作药物的用途，以及包含它们的药物组合物。
• Rh(iii)-Catalyzed intramolecular redox-neutral cyclization of alkenes via C–H activation
  作者：Zhuangzhi Shi、Mélissa Boultadakis-Arapinis、Dennis C. Koester、Frank Glorius

  DOI：10.1039/c4cc00029c

  日期：——

  Biologically interesting fused oligocyclic lactams have been prepared via an intramolecular redox-neutral cyclization process. By the proper choice of the substrates with a wide variety of tethered olefins, the less favored C–H bond can be activated and functionalized. This C–H activation proceeds under mild conditions, obviates the need for external oxidants, and displays a broad scope with respect to the substituents.

  生物学上引人关注的融合多环内酰胺已通过一种分子内氧化还原中性环化过程制备。通过适当选择带有多种侧链烯烃的底物，可以激活并功能化较不利的C-H键。这种C-H键的活化在温和条件下进行，无需外部氧化剂，并且对取代基具有广泛的适用性。
• Macrocyclic lactams and pharmaceutical use thereof
  申请人：Auberson Yves

  公开号：US20070072792A1

  公开（公告）日：2007-03-29

  The present invention relates to novel macrocyclic compounds of the formula wherein R 1 , R 2 , R 3 , U, V, W, X, Y, Z and n are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as pharmaceuticals and to pharmaceutical compositions comprising them.

  本发明涉及到新型大环化合物，其化学式为R1、R2、R3、U、V、W、X、Y、Z和n在规范中定义，该大环中包含的环原子数为14、15、16或17，以自由碱基形式或酸加成盐形式存在，以及它们的制备方法、它们作为药物的用途以及包含它们的药物组成物。
• Macrocyclic Lactams and Pharmaceutical Use Thereof
  申请人：AUBERSON Yves

  公开号：US20100022500A1

  公开（公告）日：2010-01-28

  The present invention relates to novel macrocyclic compounds of the formula wherein R 1 , R 2 , R 3 , U, V, W, X, Y, Z and n are as defined in the specification, the number of ring atoms included in the macrocyclic ring being 14, 15, 16 or 17, in free base form or in acid addition salt form, to their preparation, to their use as pharmaceuticals and to pharmaceutical compositions comprising them.

  本发明涉及新型大环化合物，其化学式为R1，R2，R3，U，V，W，X，Y，Z和n如规范中所定义，大环环中包括的环原子数为14，15，16或17，以游离碱形式或酸盐形式存在，涉及其制备、作为药物的使用以及包括它们的药物组成物。