4-pivaloyloxy-butan-2-one | 166113-39-9

• 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: 4-pivaloyloxy-butan-2-one
• 英文别名: 4-Pivaloyloxy-butan-2-on；3-Oxobutyl 2,2-dimethylpropanoate
• CAS: 166113-39-9
• 化学式: C₉H₁₆O₃
• 分子量: 172.224
• InChiKey: LMRCZFFUDASGBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-pivaloyloxy-butan-2-one 生成 4-pivaloyloxy-butan-2-one semicarbazone
  参考文献：
  名称：

  US2555598

  摘要：

  公开号：
• 作为产物：
  描述：

  3-butenyl pivalate 在 叔丁基过氧化氢 、 palladium(II) bis(diketonate) 作用下， 以 苯 为溶剂， 以54%的产率得到4-pivaloyloxy-butan-2-one
  参考文献：
  名称：

  Wacker oxidation of alkenes using a fluorous biphasic system. A mild preparation of polyfunctional ketones

  摘要：

  Various alkenes are oxidized to the corresponding ketones using t-BuOOH in the presence of a palladium(II) catalyst bearing perfluorinated ligands using a biphasic solvent system of benzene and bromoperfluorooctane. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01355-0

文献信息

• PHENYLATE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USES THEREOF
  申请人：Institute of Materia Medica, Chinese Academy of Medical Sciences

  公开号：EP3459926A1

  公开（公告）日：2019-03-27

  The present invention discloses a phenylate derivative, a preparation method therefor, and a pharmaceutical composition and uses thereof. Specifically, the invention relates to phenylate derivatives represented by formula (I), a pharmaceutically-acceptable salt thereof, a stereoisomer thereof, a preparation method therefor, a pharmaceutical composition containing the one or more compounds, and uses of the compounds in treating diseases related to PD-1/PD-L1 signal channels, such as cancers, infectious diseases and autoimmune diseases.

  本发明公开了一种苯基酯衍生物、其制备方法和药物组合物及其用途。具体而言，本发明涉及式（I）代表的苯基酸酯衍生物、其药学上可接受的盐、其立体异构体、其制备方法、含有一种或多种化合物的药物组合物，以及该化合物在治疗与 PD-1/PD-L1 信号通道相关的疾病（如癌症、传染性疾病和自身免疫性疾病）中的用途。
• Synthesis of Enantiopure Homoallylic Alcohols
  作者：Lutz F. Tietze、Kai Schiemann、Christoph Wegner、Christian Wulff

  DOI：10.1002/(sici)1521-3765(19980904)4:9<1862::aid-chem1862>3.0.co;2-c

  日期：1998.9.4

  A highly selective asymmetric domino allylation of aliphatic ketones is described. When methyl ketones 1a-g, the chiral trimethylsilyl ether 2, and allylsilane 3 react in the presence of catalytic amounts of trifluoromethanesulfonic acid, the homoallylic ethers 4a-g are produced with up to 24:1 diastereoselectivity and 89% yield. Cleavage of the obtained tertiary homoallylic ethers C using lithium or sodium in liquid ammonia gives the homoallytic alcohols 5 in 75 to 95% yield and up to 92% ee. Even ethyl methyl ketone 1a, the most difficult example, showed a stereoselectivity of 9:1 at -78 degrees C and 24:1 at -109 degrees C. In addition, the allylation of protected hydroxyalkyl methyl ketones 7a-j was investigated to give the corresponding homoallylic ethers 8a-j with a diastereoselectivity of up to >24:1 and 98% yield. In contrast, ethyl alkyl ketones 1h-j have a low selectivity.
• Bach, Thorsten, Liebigs Annalen, 1995, # 5, p. 855 - 866
  作者：Bach, Thorsten

  DOI：——

  日期：——
• PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS
  申请人：Yaghi Omar M.

  公开号：US20120186449A1

  公开（公告）日：2012-07-26

  The disclosure provides for novel metal-triazolate frameworks, methods of use thereof, and devices comprising the frameworks thereof.
• FUNCTIONALIZATION OF ORGANIC MOLECULES USING METAL-ORGANIC FRAMEWORKS (MOFS) AS CATALYSTS
  申请人：Yaghi Omar M.

  公开号：US20140012039A1

  公开（公告）日：2014-01-09

  The disclosure provides for catalytic multivariate metal organic frameworks and methods of use thereof.