cyclopropylmethyl pivalate | 404952-77-8

• 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: cyclopropylmethyl pivalate
• 英文别名: Cyclopropylmethyl 2,2-dimethylpropanoate
• CAS: 404952-77-8
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: VSXANLJDYGLGQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cyclopropylmethyl pivalate 、 联硼酸频那醇酯 在 新铜试剂 、 (η⁶-mesitylene)(tris-pinacolboryl)iridium 作用下， 以 环己烷 为溶剂， 反应 12.0h， 以59%的产率得到(trans)-2-pivaloyloxymethylcyclopropane boronic acid pinacol ester
  参考文献：
  名称：

  Iridium-Catalyzed C–H Borylation of Cyclopropanes

  摘要：

  The borylation of cyclopropanes catalyzed by the combination of (eta(6)-mes)IrBpin(3) or [Ir(COD)-OMe](2) and a phenanthroline derivative is reported. The borylation occurs selectively at the methylene C-H bonds of the cyclopropane ring over methine or methyl C-H bonds. High diasteroselectivities were observed from reactions catalyzed by the combination of iridium and 2,9-Me(2)phenanthroline. The cyclopropylboronate esters that are generated are versatile synthetic intermediates that can be converted to trifluoroborate salts, boronic acids, cyclopropylarenes, cyclopropylamines, and cyclopropanols.

  DOI：

  10.1021/ja400103p

文献信息

• ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180179208A1

  公开（公告）日：2018-06-28

  Compounds of Formula I: and their pharmaceutically acceptable salts are useful for the inhibition of HIV reverse transcriptase. The compounds may also be useful for the prophylaxis or treatment of infection by HIV and in the prophylaxis, delay in the onset or progression, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antiviral agents, immunomodulators, antibiotics or vaccines

  公式I的化合物及其药用盐对于抑制HIV逆转录酶具有用处。这些化合物也可能对预防或治疗HIV感染以及预防、延缓爱滋病的发作或进展以及治疗方面具有用处。这些化合物及其盐可作为药物组合物中的成分，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• SUBSTITUTED ARYLPYRAZOLES
  申请人：Billen Denis

  公开号：US20080176865A1

  公开（公告）日：2008-07-24

  This invention relates to a range of 1-aryl-4-cyclopropylpyrazoles in which the cyclopropyl ring is substituted at the angular position, and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes to their synthesis and their use as parasiticides.

  本发明涉及1-芳基-4-环丙基吡唑茂的一系列化合物，其中环丙基环在角位被取代，以及其药学上可接受的盐和溶剂化物，包括这些化合物的组合物，它们的合成过程以及作为寄生虫杀虫剂的用途。
• Inhibitors of PI3K-Delta and Methods of Their Use and Manufacture
  申请人：Kearney Patrick

  公开号：US20140058103A1

  公开（公告）日：2014-02-27

  The invention is directed to Compounds of Formula I: and pharmaceutically acceptable salts or solvates thereof, as well as methods of making and using the compounds.

  这项发明涉及公式I的化合物：以及其药学上可以接受的盐或溶剂化物，以及制备和使用这些化合物的方法。
• TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20160185780A1

  公开（公告）日：2016-06-30

  Compounds of Formula 0, Formula I and Formula II and methods of use as Janus kinase inhibitors are described herein.

  本文描述了化学式为0、化学式I和化学式II的化合物以及作为Janus激酶抑制剂的使用方法。
• SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE
  申请人：Xi Ning

  公开号：US20170073334A1

  公开（公告）日：2017-03-16

  The present invention provides novel heteroaryl compounds, pharmaceutical acceptable salts and formulations thereof. They are useful in preventing, managing, treating or lessening the severity of a protein kinase-mediated disease. The invention also provides pharmaceutically acceptable compositions comprising such compounds and methods of using the compositions in the treatment of protein kinase-mediated disease.