3-hydroxy-3,7-dimethyl-octan-2-one | 51905-61-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-3,7-dimethyl-octan-2-one
• 英文别名: 3-Hydroxy-3,7-dimethyl-octan-2-on；3-Hydroxy-3,7-dimethyloctan-2-one；3-hydroxy-3,7-dimethyloctan-2-one
• CAS: 51905-61-4
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: LZAZBJSCHGDITJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3,7-dimethyl-octan-2-one 在 草酸 、 异丙醇 作用下， 生成 3,7-Dimethyloctanon-(2)
  参考文献：
  名称：

  Dupont et al., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1954, vol. 238, p. 1587

  摘要：

  DOI：
• 作为产物：
  描述：

  6-甲基-2-庚酮 在 氢氧化钾 、 mercury(II) sulfate 作用下， 生成 3-hydroxy-3,7-dimethyl-octan-2-one
  参考文献：
  名称：

  Chretien-Bessiere, Annales de Chimie (Cachan, France), 1957, vol. <13> 2, p. 301,365

  摘要：

  DOI：

文献信息

• Selective Aliphatic C-H Oxidation
  申请人：White M. Christina

  公开号：US20110015397A1

  公开（公告）日：2011-01-20

  A composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion may be used for selective sp 3 C—H bond oxidation. The tetradentate ligand may include a N-heterocyclic-N,N′-bis(pyridyl)-ethane-1,2-diamine group or a N,N′-bis(heterocyclic)-N,N′-bis(pyridyl)-ethane-1,2-diamine group. The composition can be used in combination with H 2 O 2 to effect highly selective oxidations of unactivated sp 3 C—H bonds over a broad range of substrates. The site of oxidation can be predicted, based on the electronic and/or steric environment of the C—H bond. In addition, the oxidation reaction does not require the presence of directing groups in the substrate.

  一种包括金属复合物、四齿配体、至少一种辅助配体和对离子的组合物可用于选择性氧化sp3C—H键。四齿配体可能包括N-杂环-N,N′-双(吡啶基)-乙烷-1,2-二胺基团或N,N′-双(杂环)-N,N′-双(吡啶基)-乙烷-1,2-二胺基团。该组合物可与H2O2结合使用，对广泛范围的底物进行高度选择性的氧化未活化的sp3C—H键。可以根据C—H键的电子和/或立体环境预测氧化位置。此外，氧化反应不需要底物中存在导向基团。
• Chretien-Bessiere, Annales de Chimie (Cachan, France), 1957, vol. 2, p. 301,312, 317
  作者：Chretien-Bessiere

  DOI：——

  日期：——
• COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION
  申请人：Ishida Kenya

  公开号：US20110117147A1

  公开（公告）日：2011-05-19

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from 1-menthol, 1-isopulegol, 3-(1-menthoxy)propan-1,2-diol, 2-(1-menthoxy)ethan-1-ol, 3-(1-menthoxy)propan-1-ol, 2-methyl-3-(1-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• US7829342B2
  申请人：——

  公开号：US7829342B2

  公开（公告）日：2010-11-09
• US8632792B2
  申请人：——

  公开号：US8632792B2

  公开（公告）日：2014-01-21