2-(but-3-en-1-yloxy)benzoic acid | 1061591-89-6

• 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: 2-(but-3-en-1-yloxy)benzoic acid
• 英文别名: 2-But-3-enyloxy-benzoic acid；2-but-3-enoxybenzoic acid
• CAS: 1061591-89-6
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: BIFZMIPCHICOOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：

  2-(but-3-en-1-yloxy)benzoic acid 在 sodium tetrahydroborate 、 草酰氯 作用下， 反应 3.5h， 生成 Te-4-fluorophenyl 2-(3-butenyloxy)tellurobenzoate
  参考文献：
  名称：

  Photoinduced Free Radical Chemistry of the Acyl Tellurides: Generation, Inter- and Intramolecular Trapping, and ESR Spectroscopic Identification of Acyl Radicals

  摘要：

  Acyl tellurides are prepared in good to excellent yield by the reaction of sodium aryl tellurides with acyl chlorides, or mixed anhydrides, and are found to be moderately air-stable substances. In contrast to previous literature reports, acyl tellurides of aryl and vinyl carboxylic acids are found to be excellent sources of acyl radicals on photolysis with a simple white light source. The acyl radicals so generated may be trapped intermolecularly by dichalcogenides, or by TEMPO in excellent yield. Trapping by N-tert-butyl-alpha-phenyl nitrone produces a stable nitroxide radical which has been characterized by ESR spectroscopy. The very efficient trapping of acyl radicals by acyl tellurides themselves is demonstrated by a crossover experiment. Acyl tellurides are shown to participate in very efficient radical cyclization reactions onto alkenes with the formation of five-, six-, and eight-membered rings. The immediate products of the cyclizations onto alkenes are alpha-[(aryltelluro)methyl] ketones and the chemistry of these relatively unstable species is briefly described. Treatment with hydrogen peroxide affords alpha-methylene ketones in high yield. When elimination of the aryl telluro group is not possible the alpha-[(aryltelluro)methyl] ketones are stable species that may subsequently be employed in further radical chain reactions, for example with tributyltin hydride and methyl acrylate. Cyclization onto alkynes yields alpha-[(aryltelluro)methylene] ketones which are stable species and which take part in substitution reactions with higher order cuprates or with diphenyl diselenide.

  DOI：

  10.1021/ja00099a011
• 作为产物：
  描述：

  水杨酸乙酯 在 水 、 caesium carbonate 、 lithium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 2-(but-3-en-1-yloxy)benzoic acid
  参考文献：
  名称：

  Benzoylureas as removable cisamide inducers: synthesis of cyclic amidesviaring closing metathesis (RCM)

  摘要：

  通过使用苯甲酰脲辅助剂，可以实现中环内酰胺的快速高产合成，该辅助剂用于稳定顺氨基酰胺构象，从而促进环化。在温和条件下对初级胺去保护时，该辅助剂会被释放，例如在这里给出的例子中通过Boc基团的酸解。这种方法对于中环内酰胺、宏环天然产物和肽的合成是一种有前途的工具。

  DOI：

  10.1039/c0ob00723d

文献信息

• MODULATORS OF THE RELAXIN RECEPTOR 1
  申请人：The United States of America, as Represented by the Secretary, Dept. of Health & Human Services

  公开号：US20150119426A1

  公开（公告）日：2015-04-30

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R 1 , and R 2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  本文揭示了人类松弛素受体1的调节剂，例如，公式（I）中的A、R1和R2如本文所定义，这些调节剂在治疗哺乳动物松弛素受体1介导的人类健康方面，例如心血管疾病中是有用的。还公开了一种包含药用适宜载体和本公开的至少一种化合物的组合物，以及一种用于治疗介导人类松弛素受体1的哺乳动物健康方面的干预方法。
• [EN] ASK1 INHIBITING AGENTS<br/>[FR] AGENTS INHIBITEURS D'ASK1
  申请人：BIOGEN MA INC

  公开号：WO2018148204A1

  公开（公告）日：2018-08-16

  Provided are compounds of Formulas (I'), (I), (II') and (II), or pharmaceutically acceptable salts thereof, and methods for their use and production.

  提供了化合物的结构式(I')、(I)、(II')和(II)，或其药学上可接受的盐，以及它们的使用和生产方法。
• ALLYLOXY AND ALKYLOXY BENZOIC ACID DELIVERY AGENTS
  申请人：Song Jianfeng

  公开号：US20100105604A1

  公开（公告）日：2010-04-29

  The present invention relates to pharmaceutical compounds for delivering active agents, such as biologically or chemically active agents, to a target. The invention also relates to pharmaceutical compositions comprising at least one delivery agent compound of the present invention and at least one active agent, and unit dosage forms comprising such compositions. Methods for the preparation and administration of the pharmaceutical compositions are also disclosed.

  本发明涉及用于传递活性剂的药物化合物，例如生物或化学活性剂，到目标部位。本发明还涉及包含本发明中至少一个传递剂化合物和至少一个活性剂的药物组合物，以及包含这类组合物的单位剂量形式。还公开了制备和管理药物组合物的方法。
• Allyloxy and alkyloxy benzoic acid delivery agents
  申请人：Song Jianfeng

  公开号：US08466199B2

  公开（公告）日：2013-06-18

  The present invention relates to pharmaceutical compounds for delivering active agents, such as biologically or chemically active agents, to a target. The invention also relates to pharmaceutical compositions comprising at least one delivery agent compound of the present invention and at least one active agent, and unit dosage forms comprising such compositions. Methods for the preparation and administration of the pharmaceutical compositions are also disclosed.

  本发明涉及制药化合物，用于将活性剂（例如生物活性剂或化学活性剂）传递到目标。本发明还涉及包含本发明至少一种传递剂化合物和至少一种活性剂的制药组合物，以及包含这些组合物的单元剂量形式。还公开了制备和管理制药组合物的方法。
• Modulators of the relaxin receptor 1
  申请人：The United States of America, as Represented by the Secretary, Department of Health and Human Service

  公开号：US10125112B2

  公开（公告）日：2018-11-13

  Disclosed are modulators of the human relaxin receptor 1, for example, of formula (I), wherein A, R1, and R2 are as defined herein, that are useful in treating mammalian relaxin receptor 1 mediated facets of human health, e.g., cardiovascular disease. Also disclosed is a composition comprising a pharmaceutically suitable carrier and at least one compound of the disclosure, and a method for therapeutic intervention in a facet of mammalian health that is mediated by a human relaxin receptor 1.

  公开了人类松弛素受体1的调节剂，例如式（I），其中A、R1和R2如本文所定义，可用于治疗哺乳动物松弛素受体1介导的人类健康问题，例如心血管疾病。还公开了一种组合物，该组合物包含药学上合适的载体和至少一种本公开的化合物，以及一种治疗干预哺乳动物健康的方法，该哺乳动物的健康是由人类松弛素受体1介导的。