5-hydroxy-2,4,4,6,6-pentamethyl-heptan-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-hydroxy-2,4,4,6,6-pentamethyl-heptan-3-one
• 英文别名: 5-Hydroxy-2,4,4,6,6-pentamethylheptan-3-one
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: NOSZYKCQUNBRSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  特戊醛 、 2,4-二甲基-3-戊酮 在 三甲基氯硅烷 、 三正丁胺 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 16.5h， 以51%的产率得到5-hydroxy-2,4,4,6,6-pentamethyl-heptan-3-one
  参考文献：
  名称：

  催化TMSCl促进TiCl 4 / Bu 3 N介导的强力羟醛加成和Claisen缩合：与Mukaiyama羟醛加成的比较和评估

  摘要：

  MSCl催化剂（0.05当量）显着促进了空间拥挤的酮和α-杂取代的酮的TiCl 4 / Bu 3 N介导的直接交叉羟醛加成，以及甲酯之间的直接Claisen缩合。

  DOI：

  10.1016/s0040-4039(99)00682-6

文献信息

• Catalytic TMSCl promoted powerful aldol addition and Claisen condensation mediated by TiCl4/Bu3N agent: comparison and evaluation with the Mukaiyama aldol addition
  作者：Yoshihiro Yoshida、Noriaki Matsumoto、Ryota Hamasaki、Yoo Tanabe

  DOI：10.1016/s0040-4039(99)00682-6

  日期：1999.5

  catalyst (0.05 equiv) signifiantly promoted the TiCl4/Bu3N-mediated direct cross aldol additions of sterically crowded ketones and α-hetero substituted ketones, and also the direct Claisen condensation between methyl esters.

  MSCl催化剂（0.05当量）显着促进了空间拥挤的酮和α-杂取代的酮的TiCl 4 / Bu 3 N介导的直接交叉羟醛加成，以及甲酯之间的直接Claisen缩合。
• POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME
  申请人：LIU Chi-Ming

  公开号：US20120328799A1

  公开（公告）日：2012-12-27

  A photosensitive resin composition and a method for forming patterns by using the same are disclosed. The photosensitive resin composition comprises a novolac resin (A), an ortho-naphthoquinone diazide sulfonic acid ester (B) and a ketol solvent (C). The novolac resin (A) includes a high-ortho novolac resin (A-1) that has ortho-ortho methylene bonding to all methylene bonding in a ratio of 18% to 25%, and a weight ratio (A-1)/(C) of the high-ortho novolac resin (A-1) to the ketol solvent (C) is 0.1 to 2.0, thereby exhibiting excellent temporal stability and further forming patterns with superior film to thickness uniformity and high resolution.
• Direct, practical, and powerful crossed aldol additions between ketones and ketones or aldehydes utilizing environmentally benign TiCl4–Bu3N reagent
  作者：Yoo Tanabe、Noriaki Matsumoto、Takahiro Higashi、Tomonori Misaki、Tomotaka Itoh、Misako Yamamoto、Kumi Mitarai、Yoshinori Nishii

  DOI：10.1016/s0040-4020(02)00977-8

  日期：2002.10

  benign method is advantageous from a green chemical viewpoint with regard to yield, substrates variation, reagent availability, and simple procedures. This method was applied to a short step formal synthesis of (R)-muscone, a natural macrocyclic musk.

  在酮和酮或醛之间进行了有效的TiCl 4 -Bu 3 N-（cat。TMSCl）促进的羟醛添加。从绿色化学观点来看，该环境友好方法在产率，底物变化，试剂可用性和简单程序方面是有利的。该方法用于天然大环麝香（R）-muscone的短步正式合成。