2,2,4,6,6-pentamethyl-heptan-3-one | 25368-59-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4,6,6-pentamethyl-heptan-3-one
• 英文别名: 2,2,4,6,6-Pentamethyl-heptan-3-on；2,2,4,6,6-Pentamethylheptan-3-one
• CAS: 25368-59-6
• 化学式: C₁₂H₂₄O
• 分子量: 184.322
• InChiKey: KTUNNUZNXKOIRD-UHFFFAOYSA-N

物化性质

• 沸点：
  203.5±8.0 °C(Predicted)
• 密度：
  0.822±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,4,4-trimethyl-valeryl chloride 在 乙醚 、 铬 、 溶剂黄146 作用下， 生成 2,2,4,6,6-pentamethyl-heptan-3-one
  参考文献：
  名称：

  Whitmore et al., Journal of the American Chemical Society, 1941, vol. 63, p. 647

  摘要：

  DOI：

文献信息

• Vitamin D Receptor Modulators
  申请人：Bunel Emilio Enrique

  公开号：US20090018058A1

  公开（公告）日：2009-01-15

  The present invention relates to novel, non-secosteroidal, diaryl compounds with vitamin D receptor (VDR) modulating and psoriasis.

  本发明涉及一种新型的非类固醇二芳基化合物，具有维生素D受体（VDR）调节和治疗牛皮癣的作用。
• VITAMIN D RECEPTOR MODULATORS
  申请人：Bunel Emilio Enrique

  公开号：US20090227604A1

  公开（公告）日：2009-09-10

  The present invention relates to novel, non-secosteroidal, diaryl compounds with vitamin D receptor (VDR) modulating activity that are less hypercalcemic than 1a,25 dihydroxy vitamin D3. These compounds are useful for treating bone disease and psoriasis.

  本发明涉及一种新的、非次级甾体、二芳基化合物，具有维生素D受体（VDR）调节活性，比1a,25二羟基维生素D3的高钙血症更少。这些化合物对治疗骨病和牛皮癣有用。
• Chemistry of dihydro-1,3-oxazines. XXI. 1,4-Addition of organometallics to 2-alkenyldihydro-1,3-oxazines. Synthesis of .alpha.-substituted aldehydes and ketones
  作者：A. I. Meyers、A. C. Kovelesky、A. F. Jurjevich

  DOI：10.1021/jo00952a005

  日期：1973.6
• Base-catalysed polyalkylation of aliphatic ketones II. Reaction graph for the polymethylation of methylneohexyl ketone.
  作者：Jacques-Emile Dubois、Annick Panaye

  DOI：10.1016/s0040-4039(01)88408-2

  日期：1969.1
• METHODS AND COMPOSITIONS FOR RIBOSOMAL SYNTHESIS OF MACROCYCLIC PEPTIDES
  申请人：Fasan Rudi

  公开号：US20160355552A1

  公开（公告）日：2016-12-08

  Methods and compositions are provided for generating macrocyclic peptides from genetically encoded, ribosomally produced polypeptide precursors. Also provided are nucleic acid molecules, polypeptides, and methods for generating combinatorial libraries of macrocyclic peptides. These methods can be used to produce vast libraries of conformationally constrained peptide ligands as well as facilitate the functional screening of these libraries to identify compound(s) with desired activity properties.