cyclopentyloxyphenylacetic acid | 39773-76-7

• 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: cyclopentyloxyphenylacetic acid
• 英文别名: 2-(Cyclopentyloxy)-2-phenylacetic acid；2-cyclopentyloxy-2-phenylacetic acid
• CAS: 39773-76-7
• 化学式: C₁₃H₁₆O₃
• mdl: MFCD12145314
• 分子量: 220.268
• InChiKey: MAMLQTTUXSMYPX-UHFFFAOYSA-N

物化性质

• 沸点：
  370.8±22.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  cyclopentyloxyphenylacetic acid 以 丙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 73.0h， 生成 格隆溴铵杂质U
  参考文献：
  名称：

  Carry Over of Impurities: A Detailed Exemplification for Glycopyrrolate (NVA237)

  摘要：

  The original synthesis of glycopyrrolate (NVA237) was revised and shortened into an essentially one-pot process. Without isolating the intermediates, their purification became obsolete, thereby increasing the possibility of the carry over of impurities. For that reason, the actual, potential, and theoretical impurities of the starting materials cyclopentyl mandelic acid and 1-methyl-pyrrolidin-3-ol as well as byproducts which may occur during the synthesis were thoroughly investigated; furthermore, their transformation to possible impurities in the drug substance along the new synthetic route was performed to exclude them as actual impurities in the drug substance with certainty. The question is raised how detailed such investigation-which are fairly manageable for a simple product like glycopyrrolate-need to be.

  DOI：

  10.1021/op3001788
• 作为产物：
  描述：

  alpha-溴苯乙酸 、 环戊醇 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 1.5h， 以95%的产率得到cyclopentyloxyphenylacetic acid
  参考文献：
  名称：

  Carry Over of Impurities: A Detailed Exemplification for Glycopyrrolate (NVA237)

  摘要：

  The original synthesis of glycopyrrolate (NVA237) was revised and shortened into an essentially one-pot process. Without isolating the intermediates, their purification became obsolete, thereby increasing the possibility of the carry over of impurities. For that reason, the actual, potential, and theoretical impurities of the starting materials cyclopentyl mandelic acid and 1-methyl-pyrrolidin-3-ol as well as byproducts which may occur during the synthesis were thoroughly investigated; furthermore, their transformation to possible impurities in the drug substance along the new synthetic route was performed to exclude them as actual impurities in the drug substance with certainty. The question is raised how detailed such investigation-which are fairly manageable for a simple product like glycopyrrolate-need to be.

  DOI：

  10.1021/op3001788

文献信息

• Carboxylic acid derivative as AT2R receptor antagonist
  申请人：SHANDONG DANHONG PHARMACEUTICAL CO., LTD.

  公开号：US11021445B2

  公开（公告）日：2021-06-01

  The present invention relates to a compound shown in formula (II) or a pharmaceutically acceptable salt thereof and an application of the same in preparing a drug for treating a disease related to angiotensin II receptor type 2 (AT2R).(II)

  本发明涉及式(II)所示化合物或其药学上可接受的盐及其在制备治疗与血管紧张素II受体2型(AT2R)有关的疾病的药物中的应用。
• CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST
  申请人：Shandong Danhong Pharmaceutical Co., Ltd.

  公开号：EP3620454B1

  公开（公告）日：2021-05-05