[3-(4-氯苯基)-1,2,4-恶二唑-5-基]甲醇 | 5372-40-7

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: [3-(4-氯苯基)-1,2,4-恶二唑-5-基]甲醇
• 英文名称: 3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2,4-oxadiazole
• 英文别名: (3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)methanol；[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-methanol；[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methan-1-ol；3-(4-Chlor-phenyl)-5-hydroxymethyl-1,2,4-oxadiazol；[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
• CAS: 5372-40-7
• 化学式: C₉H₇ClN₂O₂
• mdl: MFCD06200919
• 分子量: 210.62
• InChiKey: SNHGRCYDLKXNSH-UHFFFAOYSA-N

物化性质

• 熔点：
  96-99°C
• 沸点：
  369.2±52.0 °C(Predicted)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储条件：2-8°C，干燥

反应信息

• 作为反应物：
  描述：

  [3-(4-氯苯基)-1,2,4-恶二唑-5-基]甲醇 以 氯仿 、 苯 为溶剂， 生成 3-(4-Chlor-phenyl)-5-(N,N-diaethyl-carbamoyloxymethyl)-1,2,4-oxadiazol
  参考文献：
  名称：

  PALAZZO; SILVESTRINI, Bollettino Chimico Farmaceutico, 1962, vol. 101, p. 251 - 258

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯甲基-3-(4-氯苯基)-1,2,4-氧二唑 在 sodium acetate 、 溶剂黄146 作用下， 生成 [3-(4-氯苯基)-1,2,4-恶二唑-5-基]甲醇
  参考文献：
  名称：

  PALAZZO; SILVESTRINI, Bollettino Chimico Farmaceutico, 1962, vol. 101, p. 251 - 258

  摘要：

  DOI：

文献信息

• CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS
  申请人：ICOS Corporation

  公开号：US20040023945A1

  公开（公告）日：2004-02-05

  Novel pyrrolidine compounds that are potent and selective inhibitors of PDE4, as well as methods of making the same, are disclosed. Use of the compounds in the treatment of inflammatory diseases and other diseases involving elevated levels of cytokines, as well as central nervous system (CNS) disorders, also is disclosed.

  本发明公开了一种新型吡咯烷化合物，它们是PDE4的有效选择性抑制剂，以及制备它们的方法。本发明还公开了在治疗炎症性疾病和其他涉及细胞因子水平升高的疾病，以及中枢神经系统（CNS）疾病中使用该化合物的方法。
• Cyclic AMP-specific phosphodiesterase inhibitors
  申请人：——

  公开号：US20040152754A1

  公开（公告）日：2004-08-05

  Novel pyrrolidine compounds that are potent and selective inhibitors of PDE4, as well as methods of making the same, are disclosed. Use of the compounds in the treatment of inflammatory diseases and other diseases involving elevated levels of cytokines, as well as central nervous system (CNS) disorders, also is disclosed.

  本发明公开了一种新型吡咯烷化合物，它们是PDE4的有效和选择性抑制剂，并公开了制备这些化合物的方法。本发明还揭示了在治疗炎症性疾病和其他涉及细胞因子水平升高的疾病以及中枢神经系统（CNS）疾病中使用这些化合物的方法。
• One-Step Protection-Free Synthesis of 3-Aryl-5-hydroxyalkyl-1,2,4-oxadiazoles as Building Blocks
  作者：Ricardo A. W. Neves Filho、Diana C. B. da Silva-Alves、Janaína V. dos Anjos、Rajendra M. Srivastava

  DOI：10.1080/00397911.2012.724757

  日期：2013.10.2

  A simple and straightforward synthesis of 3-aryl-5-hydroxyalkyl-1,2,4-oxadiazoles is described. The reaction among arylamidoximes, ethyl glycolate or ethyl lactate, and potassium carbonate in refluxing toluene afforded the desired 1,2,4-oxadiazoles in moderate to good yields. The synthesis has been accomplished in a single step, avoiding protection-deprotection protocols. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.
• PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS
  申请人：ICOS CORPORATION

  公开号：EP1242400A1

  公开（公告）日：2002-09-25
• COMPOUNDS
  申请人：UCL BUSINESS LTD

  公开号：US20210171475A1

  公开（公告）日：2021-06-10

  A compound for use in the treatment of a disease ameliorated by the inhibition of Notum of formula (I): (I)