3,4,4-trimethyl-2-pentanone | 5340-45-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4,4-trimethyl-2-pentanone
• 英文别名: 3,4,4-trimethylpentan-2-one；3,4,4-trimethyl-pentan-2-one；3,4,4-Trimethyl-pentan-2-on；1-Methyl-1-tert.-butyl-aceton；3,4,4-Trimethylpentanon-(2)；2,2,3-Trimethylpentan-4-on
• CAS: 5340-45-4
• 化学式: C₈H₁₆O
• 分子量: 128.214
• InChiKey: RAQLTZBGPDCFJW-UHFFFAOYSA-N

物化性质

• 沸点：
  147.2 °C(Press: 766 Torr)
• 密度：
  0.826 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914190090

反应信息

• 作为反应物：
  描述：

  3,4,4-trimethyl-2-pentanone 在 lithium aluminium tetrahydride 作用下， 生成 3,4,4-trimethyl-pentan-2-ol
  参考文献：
  名称：

  Ansell et al., Journal of the Chemical Society, 1956, p. 911,914

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4-dimethyl-3-methyliden-2-pentanon 在 镍 氢气 作用下， 以 乙醇 为溶剂， 生成 3,4,4-trimethyl-2-pentanone
  参考文献：
  名称：

  Conformational effects of alkyl groups on the .pi. .far. .pi.* transitions of .alpha.-enones

  摘要：

  DOI：

  10.1021/ja00803a023

文献信息

• The preparation of highly branched ketones and alcohols
  作者：W. A. Mosher、P. W. Berger、A. P. Foldi、J. E. Gardner、T. J. Kelly、C. Nebel

  DOI：10.1039/j39690000121

  日期：——

  A procedure is described for the preparation of highly branched ketones and alcohols with the general formulae R2R3R4C·CHR5·CO·R1 and R2R3R4C·CHR5·CR6(OH)R1. The multi-step route involves classical synthetic methods which give good yields. R may be varied and can be either alkyl or aryl.

  描述了制备通式为R 2 R 3 R 4 C·CHR 5 ·CO·R 1和R 2 R 3 R 4 C·CHR 5 ·CR 6（OH）R的高度支化的酮和醇的方法1。多步路线涉及经典的合成方法，可提供良好的收率。R可以变化并且可以是烷基或芳基。
• Biodegradable lipids for delivery of nucleic acids
  申请人：TRANSLATE BIO, INC.

  公开号：US10022455B2

  公开（公告）日：2018-07-17

  The present invention provides, in part, a biodegradable compound of formula I, and sub-formulas thereof: Formula (I) or a pharmaceutically acceptable salt thereof, where each X independently is O or S, each Y independently is O or S, and each R1 independently is defined herein; and a liposome composition comprising the cationic lipid of formula I or a sub-formula thereof, and methods of delivering agents, such as nucleic acids including mRNA, in vivo, by administering to a subject the liposome comprising the cationic lipid of formula I or a sub-formula thereof, where the agent is encapsulated within the liposome.

  本发明提供了一种生物可降解的化合物，其化学式为I，以及其子式：化学式（I）或其药学上可接受的盐，其中每个X独立地为O或S，每个Y独立地为O或S，每个R1独立地在此处定义；以及包含化学式I或其子式的阳离子脂质的脂质体组合物，以及通过向主体给予包含化学式I或其子式的阳离子脂质的脂质体来递送药剂（例如核酸，包括mRNA）的方法，在此过程中，药剂被封装在脂质体内。
• PHENYLALANINE DERIVATIVES
  申请人：Burke R. Terrence

  公开号：US20070219194A1

  公开（公告）日：2007-09-20

  The present invention provides phenylalanine derivatives that inhibit SH2 domain binding with a phosphoprotein. These derivatives include compounds of the formula: W—Y-(AA) n -Z wherein n is 0 to 15; Y is a phenylalanyl radical having a phenyl ring, an amine end, and a carboxyl end, the phenyl ring having one or more substituents, e.g., hydroxyl, carboxyl, formyl, carboxyalkyl, carboxyalkyloxy, dicarboxyalkyl, dicarboxyalkyloxy, dicarboxyhaloalkyl, dicarboxyhaloalkyloxy, and phosphonoalkyl, or phosphonohaloalkyl; W is a moiety attached to the nitrogen of Y and is, e.g., alkylcarbonyl, oxalyl, alkylaminooxalyl, arylaminooxalyl, arylalkylaminooxalyl, or alkoxyoxalyl; AA is an amino acid, the amine end of which is attached to the carboxyl end of Y; and Z is an arylalkylamino or arylheterocyclyl alkylamino; or a salt thereof; with the proviso that W is not arylalkylamino when the phenyl ring of phenylalanyl contains a phosphonoalkyl or phosphonohaloalkyl substituent at a position para to the alkylamido group and the ortho and meta positions are unsubstituted. The present invention further provides precursors suitable for preparing the phenylalanine derivatives and a method for the preparation of the precursors. The present invention further provides conjugates comprising a precursor and a conjugant that are covalently linked. These conjugates have biological and/or pharmacological properties.

  本发明提供苯丙氨酸衍生物，其抑制SH2域与磷酸化蛋白结合。这些衍生物包括以下公式的化合物：W—Y-(AA)n-Z，其中n为0至15；Y是具有苯环、胺端和羧基端的苯丙氨酰基基团，苯环具有一个或多个取代基，例如羟基、羧基、甲酰基、羧基烷基、羧基烷氧基、二羧基烷基、二羧基烷氧基、二羧基卤代烷基、二羧基卤代烷氧基、磷酸烷基或磷酸卤代烷基；W是连接到Y的氮上的基团，例如烷基羰基、草酰基、烷基氨基草酰基、芳基氨基草酰基、芳基烷基氨基草酰基或烷氧基草酰基；AA是一种氨基酸，其胺端连接到Y的羧基端；Z是芳基烷基氨基或芳基杂环基烷基氨基；或其盐；但是，当苯丙氨酰基的苯环在烷基酰基基团的对位上含有磷酸烷基或磷酸卤代烷基取代基，并且邻位和间位未取代时，W不是芳基烷基氨基。本发明还提供适用于制备苯丙氨酸衍生物的前体以及制备前体的方法。本发明还提供共价连接的前体和结合物的共轭物。这些共轭物具有生物和/或药理学性质。
• BENZAZEPIN-2(1H)-ONE DERIVATIVES
  申请人：Boyle Jessica

  公开号：US20080267942A1

  公开（公告）日：2008-10-30

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are agonists at the beta-2 adrenoceptor. They are useful as feed additives for livestock animals.

  式(I)化合物及其药学上可接受的盐是β-2肾上腺素受体的激动剂。它们可用作家畜饲料添加剂。
• 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES
  申请人：Selles Patrice

  公开号：US20100184598A1

  公开（公告）日：2010-07-22

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。