2,2-Dimethyltridecan-5-one | 1170160-98-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dimethyltridecan-5-one
• CAS: 1170160-98-1
• 化学式: C₁₅H₃₀O
• 分子量: 226.403
• InChiKey: WGJXZWBVIHAPJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  壬醛 、 3,3-二甲基-1-丁烯 在 2-氨基-3-甲基吡啶 、 Rhodium, chlorobis(triphenylphosphine)- 、 4-三氟甲基苯甲酸 、 环己胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以86%的产率得到2,2-Dimethyltridecan-5-one
  参考文献：
  名称：

  The effects of amine and acid catalysts on efficient chelation-assisted hydroacylation of alkene with aliphatic aldehyde

  摘要：

  Efficient intermolecular hydroacylation of 1-alkene with aliphatic aldehyde was achieved using a catalyst mixture of cyclohexylamine, p-trifluoromethylbenzoic acid, Wilkinson's complex and 2-amino-3-picoline. The formation of unwanted aldol side-product was avoided through the conjugate addition of cyclohexylamine to the aldol intermediate that was initially generated, followed by the retro-Mannich-type fragmentation of the resulting beta-aminoaldimine.

  DOI：

  10.1016/j.tetlet.2009.02.091

文献信息

• Process for producing alcohols and ketones
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0531715A1

  公开（公告）日：1993-03-17

  The present invention provides a process for the oxidation of straight-chain, branched-chain or cyclic alkanes of 1-20 carbon atoms and benzene derivatives represented by the following formulas (1) - (2). The alcohols and ketones obtained by the oxidation of the alkanes mentioned above and those by the oxidation of the benzene derivatives mentioned above represented by the following formulas (3) - (6) are important as basic starting materials in producing various chemical products including resins, such as nylon and polyester, pharmaceuticals, agricultural chemicals, perfumes, dyes, etc.

  本发明提供了一种氧化 1-20 个碳原子的直链、支链或环状烷烃以及由下列式子 (1) - (2) 表示的苯衍生物的工艺。由上述烷烃氧化得到的醇和酮以及由下列式子（3）-（6）表示的上述苯衍生物氧化得到的醇和酮是生产各种化学产品的重要基本起始原料，包括树脂（如尼龙和聚酯）、药品、农药、香水、染料等。
• US5426237A
  申请人：——

  公开号：US5426237A

  公开（公告）日：1995-06-20
• The effects of amine and acid catalysts on efficient chelation-assisted hydroacylation of alkene with aliphatic aldehyde
  作者：Eun-Ae Jo、Chul-Ho Jun

  DOI：10.1016/j.tetlet.2009.02.091

  日期：2009.7

  Efficient intermolecular hydroacylation of 1-alkene with aliphatic aldehyde was achieved using a catalyst mixture of cyclohexylamine, p-trifluoromethylbenzoic acid, Wilkinson's complex and 2-amino-3-picoline. The formation of unwanted aldol side-product was avoided through the conjugate addition of cyclohexylamine to the aldol intermediate that was initially generated, followed by the retro-Mannich-type fragmentation of the resulting beta-aminoaldimine.