6-(1,4-Dimethylcyclohex-3-en-1-yl)hex-3-en-2-one | 64149-17-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-(1,4-Dimethylcyclohex-3-en-1-yl)hex-3-en-2-one
• 英文别名: 6-(1,4-dimethylcyclohex-3-en-1-yl)hex-3-en-2-one
• CAS: 64149-17-3
• 化学式: C₁₄H₂₂O
• 分子量: 206.32
• InChiKey: KAHAWUWQQGJANV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• HYDROFORMYLATION CATALYST SYSTEM WITH SYNGAS SURROGATE
  申请人：V. Mane Fils

  公开号：EP3888790A1

  公开（公告）日：2021-10-06

  Described herein is a hydroformylation catalyst system and method useful for producing aldehydes from olefin substrates, without using carbon monoxide gas. The hydroformylation catalyst system includes a hydroformylation catalyst complex including a Group 9 metal complexed with a phosphine-based ligand; a syngas surrogate including formic acid and an anhydride compound, which forms carbon monoxide in situ; and hydrogen, which may derived from the syngas surrogate or not derived from the syngas surrogate. The method involves reacting the olefin substrate with a syngas surrogate in the presence of a hydroformylation catalyst complex, wherein the syngas surrogate forms carbon monoxide, and optionally hydrogen, in situ, and then isolating the aldehyde product from a reaction mixture.

  本文描述的是一种加氢甲酰化催化剂系统和方法，用于在不使用一氧化碳气体的情况下从烯烃底物生产醛。加氢甲酰化催化剂系统包括加氢甲酰化催化剂络合物，包括与膦基配体络合的第 9 族金属；合成气代用品，包括甲酸和酸酐化合物，可在原位形成一氧化碳；以及氢气，可来自合成气代用品或不来自合成气代用品。该方法包括在加氢甲酰化催化剂复合物存在下使烯烃底物与合成气代用品反应，其中合成气代用品在原位形成一氧化碳和氢，然后从反应混合物中分离出醛产物。
• [EN] HYDROFORMYLATION CATALYST SYSTEM WITH SYNGAS SURROGATE<br/>[FR] SYSTÈME DE CATALYSEUR D'HYDROFORMYLATION AVEC SUBSTITUTION DE GAZ DE SYNTHÈSE
  申请人：V MANE FILS

  公开号：WO2021198113A1

  公开（公告）日：2021-10-07

  Described herein is a hydroformylation catalyst system and method useful for producing aldehydes from olefin substrates, without using carbon monoxide gas. The hydroformylation catalyst system includes a hydroformylation catalyst complex including a Group 9 metal complexed with a phosphine-based ligand; a syngas surrogate including formic acid and an anhydride compound, which forms carbon monoxide in situ; and hydrogen, which may derive from the syngas surrogate or not derived from the syngas surrogate. The method involves reacting the olefin substrate with a syngas surrogate in the presence of a hydroformylation catalyst complex, wherein the syngas surrogate forms carbon monoxide, and optionally hydrogen, in situ, and then isolating the aldehyde compound from a reaction mixture.