3,3-diethyl-2-pentanone | 17535-47-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-diethyl-2-pentanone
• 英文别名: 3,3-diethyl-pentan-2-one；Methyl-triaethylmethyl-keton；3,3-Diaethyl-pentan-2-on；3,3-Diethylpentanone；3,3-diethylpentan-2-one
• CAS: 17535-47-6
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: SNBWUWQHPDWGKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-diethyl-2-pentanone 生成 3,3-diethyl-2-oxo-pentanoic acid methyl ester
  参考文献：
  名称：

  Metathetical transposition of bis-tert-alkyl ketones. 1. A model for a study of group migration

  摘要：

  DOI：

  10.1021/ja00438a042
• 作为产物：
  描述：

  4,4-diethyl-3-oxo-hexanoic acid 生成 3,3-diethyl-2-pentanone
  参考文献：
  名称：

  Grignard Reactions. XV.¹ Sterically Hindered Aliphatic Carbonyl Compounds. V. Enolization Studies. I

  摘要：

  DOI：

  10.1021/ja01259a040

文献信息

• Reactions of carbonyl compounds with Grignard reagents in the presence of cerium chloride
  作者：Tsuneo Imamoto、Nobuyuki Takiyama、Kimikazu Nakamura、Toshihiko Hatajima、Yasuo Kamiya

  DOI：10.1021/ja00194a037

  日期：1989.6

  The addition of Grignard reagents to ketones is significantly enhanced by cerium chloride with remarkable suppression of side reactions, particularly enolization. Some esters, which are prone to side reactions, also react readily with Grignard reagents in the presence of cerium chloride to give normal reaction products in reasonable to high yields.

  氯化铈显着增强了格氏试剂向酮中的添加，显着抑制了副反应，尤其是烯醇化。一些易于发生副反应的酯在氯化铈存在下也很容易与格氏试剂反应，以合理到高产率得到正常反应产物。
• Induktive und sterische Effekte bei der B<scp>ECKMANN</scp>-C<scp>HAPMAN</scp>-Umlagerung von Alkyl-ketoxim-pikryläthern
  作者：H. P. Fischer、F. Funk-Kretschmar

  DOI：10.1002/hlca.19690520408

  日期：——

  The rates of the BECKMANN-CHAPMAN rearrangement of the ketoximpicryl-ethers 1a–1k in 1, 4-dichlorobutane are correlated with parameters describing the bulk of the substituted groups R and R′. From regression analyses it is concluded that the relative rate constants are mainly controlled by steric contributions in the ground state, such as geminal interactions of R with R′ and vicinal interactions of

  1，4-二氯丁烷中酮基氧辛基醚1a-1k的贝克曼-查普曼重排速率与描述取代基R和R'的大部分的参数相关。从回归分析可以得出结论，相对速率常数主要受基态的空间贡献控制，例如R与R'的双键相互作用和R'与OX的邻键相互作用，而归纳效应则较少。
• METAL COMPLEXES
  申请人：Stoessel Philipp

  公开号：US20130082209A1

  公开（公告）日：2013-04-04

  The present invention relates to metal complexes and to elec tronic devices, in particular organic electroluminescent devices, com-pris ing these metal complexes. M(L)n(L′)m (formula 1), where the compound of the gene ral formula (1) contains a moiety M(L)n of the formula (2).

  本发明涉及金属配合物和电子设备，特别是包含这些金属配合物的有机电致发光器件。其中，通式（1）的化合物包含式（2）的M(L)n基团。
• PROCESSES FOR THE PREPARATION OF ALCOHOLS
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1043298A1

  公开（公告）日：2000-10-11

  A carbonyl compound having the following formula (1): wherein R1 is a non-aromatic hydrocarbon group having a tertiary carbon atom at a bonding site to a carbonyl group, and R2 is a hydrogen atom or a hydrocarbon group, is reacted with an organic titanium compound having the following formula (2):         R3nTiL4-n     (2) wherein R3 is a hydrocarbon group, L is a ligand, and n denotes an integer of 1 to 4, to yield an alcohol having the following formula (3): wherein R1, R2 and R3 have the same meanings as defined above. According to another process of the invention, a 1-adamantanecarboxylic acid derivative having the following formula (4): wherein R4 is a hydrogen atom or a hydrocarbon group, and an adamantane ring may have a substituent, is reacted with an organic magnesium compound having the following formula (5):         R5MgX     (5) wherein R5 is a C1-C6 alkyl group, and X is a halogen atom, to yield an adamantanemethanol derivative having the following formula (6): wherein R5 has the same meaning as defined above, and the adamantane ring may have a substituent.

  具有下式(1)的羰基化合物 其中 R1 是一个非芳香烃基团，在与羰基的结合部位有一个叔碳原子，R2 是一个氢原子或烃基，该化合物与具有下式（2）的有机钛化合物反应： R3nTiL4-n (2) 其中 R3 是烃基，L 是配位体，n 表示 1 至 4 的整数，生成具有下式（3）的醇： 其中 R1、R2 和 R3 的含义与上述定义相同。 根据本发明的另一种工艺，具有下式（4）的 1-金刚烷甲酸衍生物： 其中 R4 为氢原子或烃基，金刚烷环可具有取代基，与具有下式（5）的有机镁化合物反应： R5MgX (5) 其中 R5 为 C1-C6 烷基，X 为卤素原子，生成下式（6）的金刚烷甲醇衍生物： 其中 R5 的含义与上述定义相同，金刚烷环可具有取代基。
• USE OFCERIUM(III) CHLORIDE IN THE REACTIONS OF CARBONYL COMPOUNDS WITH ORGANOLITHIUMS OR GRIGNARD REAGENTS FOR THE SUPPRESSION OF ABNORMAL REACTIONS:1-BUTYL-1,2,3,4-TETRAHYDRO-1-NAPHTHOL
  作者：Takeda, Nobuhiro、Imamoto, Tsuneo

  DOI：10.15227/orgsyn.076.0228

  日期：——