二丁酯(2-(三氟甲基)环丙基)硼酸 | 909698-11-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 二丁酯(2-(三氟甲基)环丙基)硼酸
• 英文名称: dibutoxy[2-(trifluoromethyl)cyclopropyl]borane
• 英文别名: dibutyl 2-(trifluoromethyl)cyclopropylboronate；Dibutyl (2-(trifluoromethyl)cyclopropyl)boronate；dibutoxy-[2-(trifluoromethyl)cyclopropyl]borane
• CAS: 909698-11-9
• 化学式: C₁₂H₂₂BF₃O₂
• mdl: MFCD16990765
• 分子量: 266.112
• InChiKey: DAYNCGMXRPDCQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二丁酯(2-(三氟甲基)环丙基)硼酸 在 potassium hydrogen difluoride 、 水 作用下， 以 甲醇 为溶剂， 生成 trans-2-(trifluoromethyl)cyclopropylboronic acid
  参考文献：
  名称：

  Dibutyl 2-(trifluoromethyl)cyclopropylboronate as a useful (trifluoromethyl)cyclopropyl donor: application to antagonists of TRPV1

  摘要：

  Dibutyl-2-(trifluoromethyl)cyclopropylboronate 2, available in one step from commercially available reagents, serves as a useful (trifluoromethyl)cyclopropylating reagent by participating in a palladium-catalyzed Suzuki coupling. The use of boronate ester 2 in medicinal chemistry was exemplified by preparation of TRPV1 receptor antagonists. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.073

文献信息

• [EN] BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS<br/>[FR] COMPOSÉS BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE RIP1
  申请人：HOFFMANN LA ROCHE

  公开号：WO2019072942A1

  公开（公告）日：2019-04-18

  The invention provides novel compounds having the general formula (I) or pharmaceutically acceptable salts thereof, wherein RA, RB1, RB2, the A ring and the B ring are as described herein, pharmaceutical compositions including the compounds, and methods of using the compounds as RIP1 kinase inhibitors.

  这项发明提供了具有通式（I）或其药用可接受盐的新化合物，其中RA、RB1、RB2、A环和B环如本文所述，包括这些化合物的药物组合物，以及将这些化合物用作RIP1激酶抑制剂的方法。
• Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same
  申请人：Kelly G. Michael

  公开号：US20060205773A1

  公开（公告）日：2006-09-14

  Compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  揭示了具有以下公式代表的化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。
• Dibutyl 2-(trifluoromethyl)cyclopropylboronate as a useful (trifluoromethyl)cyclopropyl donor: application to antagonists of TRPV1
  作者：Matthew A.J. Duncton、Leticia Ayala、Carl Kaub、Satyanarayana Janagani、William T. Edwards、Nina Orike、Krithika Ramamoorthy、John Kincaid、Michael G. Kelly

  DOI：10.1016/j.tetlet.2009.12.073

  日期：2010.2

  Dibutyl-2-(trifluoromethyl)cyclopropylboronate 2, available in one step from commercially available reagents, serves as a useful (trifluoromethyl)cyclopropylating reagent by participating in a palladium-catalyzed Suzuki coupling. The use of boronate ester 2 in medicinal chemistry was exemplified by preparation of TRPV1 receptor antagonists. (C) 2009 Elsevier Ltd. All rights reserved.