1-(4-仲丁基苯基)乙酮 | 7645-81-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-仲丁基苯基)乙酮
• 英文名称: p-isobutylphenyl methyl ketone
• 英文别名: 1-(4-(sec-butyl)phenyl)ethanone；p-sec-Butyl-acetophenon；4-Acetyl-sek-butylbenzol；4-sec.Butyl-acetophenon；(+/-)-1-(4-sec-Butyl-phenyl)-aethanon；1-(4-Sec-butylphenyl)ethanone；1-(4-butan-2-ylphenyl)ethanone
• CAS: 7645-81-0
• 化学式: C₁₂H₁₆O
• mdl: MFCD02244481
• 分子量: 176.258
• InChiKey: WSUFWNZZLUXQOY-UHFFFAOYSA-N

物化性质

• 沸点：
  134-135 °C(Press: 11 Torr)
• 密度：
  0.9631 g/cm3
• 溶解度：
  可溶于二氯甲烷；甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2914399090

反应信息

• 作为反应物：
  描述：

  1-(4-仲丁基苯基)乙酮 在 copper oxide-chromium oxide 、 乙基溴化镁 作用下， 250.0 ℃ 、23.53 MPa 条件下， 生成 1,4-二(丁烷-2-基)苯
  参考文献：
  名称：

  The Anomalous Acetylation of some Dialkylbenzenes

  摘要：

  DOI：

  10.1021/jo50017a012
• 作为产物：
  描述：

  1,4-二(丁烷-2-基)苯 在 air 、 sodium stearate 、 sodium carbonate 作用下， 生成 1-(4-仲丁基苯基)乙酮
  参考文献：
  名称：

  Tsutsumi et al., 1956, vol. 35, p. 32,37

  摘要：

  DOI：

文献信息

• A Convenient Reductive Removal of Benzylic Hydroxyl and Trimethylsilyloxyl Groups with Me₃SiCl–NaI–MeCN Reagent
  作者：Takashi Sakai、Kazuyoshi Miyata、Sadao Tsuboi、Akira Takeda、Masanori Utaka、Sigeru Torii

  DOI：10.1246/bcsj.62.3537

  日期：1989.11

  was also eliminated by the addition of 2 equivalents of water to the reaction system. The reduction was applied to the syntheses of precursors of such anti-inflammatory agents as ibuprofen, butibufen, naproxen, and related compounds, as well as (±)-ar-turmerone, an odorous sesquiterpene.

  在室温下，用 6 当量的 Me3SiCl-NaI-MeCN 试剂在己烷中处理，可以还原去除苄基位置的仲羟基和叔羟基。通过向反应体系中加入2当量的水也消除了苄基三甲基甲硅烷氧基。这种还原作用适用于诸如布洛芬、布布芬、萘普生和相关化合物以及 (±)-ar-turmerone（一种有气味的倍半萜烯）等抗炎剂前体的合成。
• Concise synthesis of ketoallyl sulfones through an iron-catalyzed sequential four-component assembly
  作者：Fuhong Xiao、Chao Liu、Dahan Wang、Huawen Huang、Guo-Jun Deng

  DOI：10.1039/c7gc03719h

  日期：——

  A three starting material four component reaction (3SM-4CR) strategy is described to prepare β-acyl allylic sulfones from methyl ketones, sodium sulfinates and dimethylacetamide (DMA) in an iron-catalyzed oxidative system. In this process, DMA was used as a dual synthon to provide two carbons. A broad range of functional groups were tolerated in this reaction system.

  描述了一种在铁催化氧化体系中由甲基酮，亚磺酸钠和二甲基乙酰胺（DMA）制备β-酰基烯丙基砜的三原料四组分反应（3SM-4CR）策略。在此过程中，DMA被用作双重合成子以提供两个碳。在该反应系统中可以容忍各种各样的官能团。
• NEUROMEDIN U DERIVATIVE
  申请人：Ohtaki Tetsuya

  公开号：US20100286035A1

  公开（公告）日：2010-11-11

  The objective of the present invention is to provide a new antifeedant. The other objective of the present invention is to provide a NMU derivative showing a high antifeedant activity even in common administration forms such as peripheral administration. A neuromedin U derivative wherein a methoxypolyethylene glycol is bound via a linker having a specific structure to a polypeptide which contains at least 8 amino acids of the C-terminus of an amino acid sequence of neuromedin U and which consists of the same or substantially the same amino acid sequence as the amino acid sequence of neuromedin U.

  本发明的目的是提供一种新的抗饲料剂。本发明的另一个目的是提供一种NMU衍生物，即使在常见的给药形式如周围给药中也表现出高抗饲料活性。一种神经介质U衍生物，其中通过具有特定结构的连接物将甲氧基聚乙二醇与包含神经介质U氨基酸序列C-末端至少8个氨基酸的多肽结合，该多肽由与神经介质U氨基酸序列相同或基本相同的氨基酸序列组成。
• Nickel-Catalyzed Cross-Coupling of Alkyl Zinc Halides for the Formation of C(sp²)C(sp³) Bonds: Scope and Mechanism
  作者：Vilas B. Phapale、Manuel Guisán-Ceinos、Elena Buñuel、Diego J. Cárdenas

  DOI：10.1002/chem.200901913

  日期：2009.11.23

  Optimal conditions for a general Ni‐catalysed Negishi cross‐coupling of alkyl zinc halides with aryl, heteroaryl and alkenyl halides have been determined. These conditions allow the reaction to take place smoothly, with low catalyst loading, and in the presence of a wide variety of functional groups to afford products in good yields at room temperature. DFT studies on the mechanism support the occurrence

  确定了烷基锌卤化物与芳基，杂芳基和烯基卤化物的一般Ni催化Negishi交叉偶联的最佳条件。这些条件使得反应能够在低催化剂负载下并且在多种官能团的存在下平稳地进行，从而在室温下以高收率提供产物。在机构DFT研究支持的烷基卤化锌的催化循环中涉及转移金属化的发生，镍我随后氧化加成的卤代芳烃的和C  Ç还原消除。
• Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones
  作者：Rahul A. Jagtap、Shidheshwar B. Ankade、Rajesh G. Gonnade、Benudhar Punji

  DOI：10.1039/d1nj01698a

  日期：——

  NNN-oxazolinyl-pincer nickel complexes and their application in the transfer hydrogenation of ketones. Achiral NNN-ligands, R′2-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R′2-OxNNNEt2)–H; R’ = H (3a), R′ = Me (3b)], and chiral ligands, (R)-R′-oxazolinyl-2-C6H4-NH-C(O)CH2NEt2 [(R)-(R′-OxNNNEt2)–H; R′ = Ph (3c), R′ = CH2Ph (3d), R′ = iPr (3e), R′ = CH2iPr (3f)], were efficiently synthesized. Treatment of these ligands with (DME)NiCl2

  我们描述了新的 NNN-恶唑啉基-钳状镍配合物的合成及其在酮转移氢化中的应用。非手性 NNN-配体，R' 2 -恶唑啉基-2-C 6 H 4 -NH-C(O)CH 2 NEt 2 [( R'2-Ox NNN Et2 )–H; R' = H ( 3a ), R' = Me ( 3b )], 和手性配体, ( R )-R'-恶唑啉基-2-C 6 H 4 -NH-C(O)CH 2 NEt 2 [( R )-( R'-Ox NNN Et2 )-H; R' = Ph ( 3c ), R' = CH 2 Ph (3d ), R' = i Pr ( 3e ), R' = CH 2 i Pr ( 3f )]，被有效地合成。用 (DME)NiCl 2处理这些配体得到所需的酰胺-钳状镍配合物，( R'2-Ox NNN Et2 )NiCl [R' = H ( 4a ), R' = Me ( 4b )] 和 ( R'