5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole | 676487-71-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
• 英文别名: 5-ethoxy-1-methyl-3-(trifluoromethyl)pyrazole
• CAS: 676487-71-1
• 化学式: C₇H₉F₃N₂O
• 分子量: 194.156
• InChiKey: RTKVHRSYLZABPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,1,1-三氟-4,4-二乙氧基-3-丁烯-2-酮 、 甲基肼 以 四氯化碳 为溶剂， 反应 12.0h， 以51%的产率得到5-ethoxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole
  参考文献：
  名称：

  Regiospecific synthesis of polyfluorinated heterocycles

  摘要：

  A series of 10 heterocycles was obtained from the reaction of 1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one and 1,1,1,2,2-pentafluoro-4,4-diethoxy-3-penten-2-one with different dinucleofiles (hydrazine, methyl hydrazine, hydroxylamine and sodium cyanide). The pyrazoles, 4,5-dihydroisoxazoles and pyrrolidinones polyfluoroalkyl substituted were obtained in moderate to good yields under mild conditions. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(03)00163-5

文献信息

• [EN] CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE<br/>[FR] COMPOSÉS CONTENANT DE L'ACIDE CARBOXYLIQUE UTILISÉS EN TANT QUE MODULATEURS DE LA BIS-PHOSPHOGLYCÉRATE MUTASE POUR LE TRAITEMENT DE LA DRÉPANOCYTOSE
  申请人：GENZYME CORP

  公开号：WO2022056447A1

  公开（公告）日：2022-03-17

  Provided herein are compounds and compositions thereof for modulating bis-phosphoglycerate mutase (BPGM) for treating sickle cell disease.

  本文提供了用于调节双磷酸甘油酸变异酶（BPGM）以治疗镰状细胞贫血的化合物和其组合物。
• CASPASE INHIBITOR PRODRUGS
  申请人：Durrant Steven

  公开号：US20110137037A1

  公开（公告）日：2011-06-09

  This invention relates to prodrugs of caspase inhibitors comprising of a furo[3,2-d]oxazolin-5-one moiety which, under specific conditions, can convert into biologically active compounds, particularly caspase inhibitors. This invention also relates to the processes for preparing these prodrugs of caspase inhibitors. This invention further relates to pharmaceutical compositions comprising said prodrugs and to the use thereof for the treatment of diseases related to inflammatory or degenerative conditions.
• US7879891B2
  申请人：——

  公开号：US7879891B2

  公开（公告）日：2011-02-01
• US8168798B2
  申请人：——

  公开号：US8168798B2

  公开（公告）日：2012-05-01
• Regiospecific synthesis of polyfluorinated heterocycles
  作者：Marcos A.P Martins、Claudio M.P Pereira、Nilo E.K Zimmermann、Wilson Cunico、Sidnei Moura、Paulo Beck、Nilo Zanatta、Helio G Bonacorso

  DOI：10.1016/s0022-1139(03)00163-5

  日期：2003.10

  A series of 10 heterocycles was obtained from the reaction of 1,1,1-trifluoro-4,4-diethoxy-3-buten-2-one and 1,1,1,2,2-pentafluoro-4,4-diethoxy-3-penten-2-one with different dinucleofiles (hydrazine, methyl hydrazine, hydroxylamine and sodium cyanide). The pyrazoles, 4,5-dihydroisoxazoles and pyrrolidinones polyfluoroalkyl substituted were obtained in moderate to good yields under mild conditions. (C) 2003 Elsevier B.V. All rights reserved.