2-heptanolyoxy-benzoic acid | 71974-01-1

• 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-heptanolyoxy-benzoic acid
• 英文别名: O-heptanoylsalicylic acid；heptanoyl salicylic acid；2-heptanoyloxy-benzoic acid；2-Heptanoyloxy-benzoesaeure；Salicylsaeure-O-hexylcarbonat；Salicylic acid, heptanoate；2-heptanoyloxybenzoic acid
• CAS: 71974-01-1
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: IRAFVNYAJKOAJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-heptanolyoxy-benzoic acid 在 叠氮磷酸二苯酯 、 三乙胺 、 3-甲基-1-苯基-2-磷杂环戊烯-1-氧化物 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 16.0h， 生成 2-己基苯并恶唑
  参考文献：
  名称：

  10.1021/ol800921nccc:40.75

  摘要：

  DOI：

  10.1021/ol800921nccc:40.75
• 作为产物：
  描述：

  庚酰氯 、 水杨酸 在 吡啶 作用下， 生成 2-heptanolyoxy-benzoic acid
  参考文献：
  名称：

  Hofstee, Journal of Biological Chemistry, 1952, vol. 199, p. 365,366

  摘要：

  DOI：

文献信息

• Novel diflunisal esters and related compounds
  申请人：The University of Queensland

  公开号：US20030220497A1

  公开（公告）日：2003-11-27

  O-medium alkyl esters of diflunisal and related compounds are disclosed having anti-platelet activity, hydroxy radical scavenging properties, enhanced hepatic clearance and low ulcerogenic potential. These compounds have general formula (I) wherein n equals 3-13. 1

  已公开的二氟尼柳 O-仲烷基酯及相关化合物具有抗血小板活性、清除羟基自由基的特性、增强的肝清除能力和较低的致溃疡潜力。这些化合物具有通式 (I)，其中 n 等于 3-13。 1
• JPS5562018A
  申请人：——

  公开号：JPS5562018A

  公开（公告）日：1980-05-10
• Medication Adherence Monitoring System
  申请人：Melker Richard J.

  公开号：US20100255598A1

  公开（公告）日：2010-10-07

  The present invention relates to the detection of markers in exhaled breath, wherein the detection of the presence or absence of the marker(s) in exhaled breath is used to assess various clinical data, including patient adherence in taking the medication and patient enzymatic (metabolic) competence in metabolizing the medication. An embodiment of the invention comprises a parent therapeutic agent labeled with a marker, where upon metabolism (e.g., via enzymatic action) of the therapeutic agent, the marker becomes volatile or semi-volatile and is present in the breath. In certain related embodiments, the marker contain a deuterium label, which is also present in the breath upon metabolism of the therapeutic agent. In another embodiment of the invention, the therapeutic agent is associated with a taggant (that may be either labeled or unlabeled with deuterium), which in turn will generate a marker in the breath that is easily measurable.
• Di-Aspirin Derivatives
  申请人：Perry Christopher John

  公开号：US20130035317A1

  公开（公告）日：2013-02-07

  The invention relates to the use of di-aspirin (bis(2-carboxyphenyl)succinate) and its derivatives in the treatment of colon and colorectal cancer. It also relates to novel derivatives of di-aspirin and to a method of synthesis of the di-aspirin and its derivatives.
• US6593365B1
  申请人：——

  公开号：US6593365B1

  公开（公告）日：2003-07-15