methyl 6-hydroxy-2,6-dimethylheptanoate | 959395-32-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 6-hydroxy-2,6-dimethylheptanoate
• CAS: 959395-32-5
• 化学式: C₁₀H₂₀O₃
• 分子量: 188.267
• InChiKey: VSKIXAWFAQEPNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME
  申请人：P2 Science, Inc.

  公开号：US20170113988A1

  公开（公告）日：2017-04-27

  The invention relates to terpene-derived compounds, such as acids, esters thereof, produced by ozonolysis of terpenes, and to alcohols, amides, nitriles derived therefrom, as well as to processes for synthesizing them. Specifically, 2,3,7-trimethyloct-6-en-2-ol, 2,3,7-trimethyloct-7-en-2-ol, or a mixture thereof, produced by Grignard reaction of a terpene derived carboxylate with methyl magnesium bromide is disclosed.

  该发明涉及由萜烯经臭氧裂解产生的化合物，如酸、酯及由此衍生的醇、酰胺、腈，以及用于合成它们的过程。具体地，揭示了通过萜烯衍生羧酸酯与溴化甲基镁进行格氏反应而产生的2,3,7-三甲基辛-6-烯-2-醇、2,3,7-三甲基辛-7-烯-2-醇或其混合物。
• 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。
• US7829342B2
  申请人：——

  公开号：US7829342B2

  公开（公告）日：2010-11-09
• [EN] TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME<br/>[FR] DÉRIVÉS TERPÉNIQUES ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
  申请人：P2 SCIENCE INC

  公开号：WO2015191706A1

  公开（公告）日：2015-12-17

  The invention relates to terpene-derived compounds, such as acids, esters thereof, produced by ozonolysis of terpenes and to alcohols, amide, nitriles derived therefrom, as well as to processes for synthesizing them. Specifically 2,3,7-trimethyloct-6-en-2-ol, 2,3,7- trimethyloct-7-en-2-ol, or a mixture thereof, produced by Grignard reaction of a terpene derived carboxylate with methyimagnesium bromide is disclosed.