1,4,5,6-tetrahydrocyclopentapyrazole-3-(N-methyl)carboxamide | 1201633-68-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4,5,6-tetrahydrocyclopentapyrazole-3-(N-methyl)carboxamide
• 英文别名: N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide；N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
• CAS: 1201633-68-2；1335131-21-9
• 化学式: C₈H₁₁N₃O
• mdl: MFCD22373665
• 分子量: 165.195
• InChiKey: TYDCMCXSYOEORK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,5,6-tetrahydrocyclopentapyrazole-3-(N-methyl)carboxamide 在 lithium aluminium tetrahydride 、 potassium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 水 、 1,4-二氧六环 为溶剂， 反应 16.0h， 以77%的产率得到N-methyl-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanamine
  参考文献：
  名称：

  Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles

  摘要：

  A series of new 3-(aminomethyl)pyrazoles and 3-(aminomethyl)isoxazoles was synthesized along a route involving the formation as key intermediates of esters of 5-substituted 1H-pyrazole-3-carboxylic and 1H-isoxazole-3-carboxylic acids. All compounds obtained were characterized by physicochemical constants, IR, (1)H, (13)C NMR, and mass spectra.

  DOI：

  10.1134/s1070428011080136
• 作为产物：
  描述：

  甲胺 、 1,4,5,6-四氢-3-环戊二烯并吡唑羧基酸乙酯 以 乙醇 、 水 为溶剂， 反应 173.0h， 以86%的产率得到1,4,5,6-tetrahydrocyclopentapyrazole-3-(N-methyl)carboxamide
  参考文献：
  名称：

  Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles

  摘要：

  A series of new 3-(aminomethyl)pyrazoles and 3-(aminomethyl)isoxazoles was synthesized along a route involving the formation as key intermediates of esters of 5-substituted 1H-pyrazole-3-carboxylic and 1H-isoxazole-3-carboxylic acids. All compounds obtained were characterized by physicochemical constants, IR, (1)H, (13)C NMR, and mass spectra.

  DOI：

  10.1134/s1070428011080136

文献信息

• [EN] NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] NOUVEAUX AGONISTES DE RÉCEPTEURS ADRÉNERGIQUES BÊTA 3 DÉRIVÉS DE PYRROLIDINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015050798A1

  公开（公告）日：2015-04-09

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of using the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式（I）的化合物，其药物组成物以及使用该药物组成物在治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。
• NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS
  申请人：Barr Kenneth Jay

  公开号：US20160235727A1

  公开（公告）日：2016-08-18

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of us ing the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式（I）的化合物、其制药组合物以及使用它们治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。
• US9486448B2
  申请人：——

  公开号：US9486448B2

  公开（公告）日：2016-11-08
• Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles
  作者：D. M. Musatov、E. V. Starodubtseva、A. K. Rakishev、O. V. Turova、M. G. Vinogradov

  DOI：10.1134/s1070428011080136

  日期：2011.8

  A series of new 3-(aminomethyl)pyrazoles and 3-(aminomethyl)isoxazoles was synthesized along a route involving the formation as key intermediates of esters of 5-substituted 1H-pyrazole-3-carboxylic and 1H-isoxazole-3-carboxylic acids. All compounds obtained were characterized by physicochemical constants, IR, (1)H, (13)C NMR, and mass spectra.