1-(2,4-dimethylphenyl)-2-methyl-propane-1-one | 23351-72-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dimethylphenyl)-2-methyl-propane-1-one
• 英文别名: 1-(2,4-dimethylphenyl)-2-methylpropan-1-one；m-Xylyl-(6)-isopropylketon；1-isobutyryl-2,4-dimethylbenzene；2,4-dimethylphenyl isopropyl ketone；2¹-Oxo-1.5-dimethyl-2-isobutyl-benzol；1-(2,4-Dimethyl-phenyl)-2-methyl-propan-1-on；Isopropyl-(2.4-dimethyl-phenyl)-keton；2,2',4'-trimethylpropiophenone；2,4-dimethylisobutyrophenone；α-Oxo-β-methyl-α-(2.4-dimethyl-phenyl)-propan；2.4-Dimethyl-isobutyrophenon；asymm. Isobutyryl-m-xylol
• CAS: 23351-72-6
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: WXTUTRMIGPHKKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 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

反应信息

• 作为反应物：
  描述：

  1-(2,4-dimethylphenyl)-2-methyl-propane-1-one 在 盐酸 、 amalgamated zinc 作用下， 生成 1-(2,4-二甲基苯基)-2-甲基丙烷
  参考文献：
  名称：

  The Action of Aluminum Chloride on Aromatic Hydrocarbons. I.¹ The 1,3-Dimethyl-4-butylbenzenes

  摘要：

  DOI：

  10.1021/ja01870a033
• 作为产物：
  描述：

  异丁酰氯 、 间二甲苯 在 二硫化碳 、 三氯化铝 作用下， 生成 1-(2,4-dimethylphenyl)-2-methyl-propane-1-one
  参考文献：
  名称：

  Claus, Journal fur praktische Chemie (Leipzig 1954), 1892, vol. <2> 46, p. 481 Anm.

  摘要：

  DOI：

文献信息

• Fast photochromic sterically hindered benzo[1,3]oxazines
  作者：Yaroslav Prostota、Paulo Jorge Coelho、João Pina、João Seixas de Melo

  DOI：10.1016/j.jphotochem.2010.09.006

  日期：2010.11

  A series of new substituted benzo[1,3]oxazines presenting bulky substituents on the chiral oxazine centre were prepared from isopropyl ketones or substituted cyclohexanones. Laser irradiation of these uncoloured compounds in solution promotes the cleavage of the C–O bond and the opening of the [1,3]oxazine ring generating a zwitterionic species, incorporating a 3H-indolium cation and a 4-nitrophenolate

  由异丙基酮或取代的环己酮制备了一系列在手性恶嗪中心上具有较大取代基的新取代苯并[1,3]恶嗪。溶液中这些未着色化合物的激光辐照促进了C–O键的裂解和[1,3]恶嗪环的打开，从而生成两性离子物质，并结合了3 H-吲哚鎓阳离子和4-硝基酚酸酯阴离子，从而吸收在440 nm处强。光生有色开放异构体是热不稳定的，并以13到68 ns的一级动力学和寿命恢复为初始封闭形式。这些光致变色开关非常稳定，在重复各种辐照/黑暗周期后不会显示出明显的退化。
• Reactivity of substrates with multiple competitive reactive sites toward NBS under neat reaction conditions promoted by visible light
  作者：Blaž Grjol、Marjan Jereb

  DOI：10.1007/s11696-021-01711-x

  日期：2021.10

  methoxy groups, respectively. Surprisingly, ipso-substitution of the acyl group with a bromine atom took place with (4-methoxynaphthyl) alkyl ketones. While the addition of the radical scavenger TEMPO (2,2,6,6-tetramethylpiperidin-1-yloxy) decreased the extent of α- and ring bromination, it completely suppressed the benzylic bromination and α,α-dibromination with NBS under SFRC.

  摘要在无溶剂反应条件下，研究了可见光诱导的一系列（杂）芳基烷基取代酮与 N-溴代琥珀酰亚胺 (NBS) 的区域选择性转化，这些酮具有多个竞争性反应位点（α-羰基、苄基和芳环）。 (SFRC) 并且在没有惰性气体气氛、自由基引发剂和催化剂的情况下。使用 8 W 节能家用灯进行照射。在整个研究过程中处理了多相反应条件。所有底物在 α-羰基位置均为单溴化或二溴化，此外，在具有苄基碳原子或给电子甲氧基的底物中分别观察到一些苄基或芳族溴化。令人惊讶的是，与（4-甲氧基萘基）烷基酮发生了用溴原子对酰基的原位取代。
• Synthesis of Indazoles and Azaindazoles by Intramolecular Aerobic Oxidative CN Coupling under Transition-Metal-Free Conditions
  作者：Jiantao Hu、Huacheng Xu、Pengju Nie、Xiaobo Xie、Zongxiu Nie、Yu Rao

  DOI：10.1002/chem.201304923

  日期：2014.4.1

  A transition‐metal‐free oxidative CN coupling method has been developed for the synthesis of 1H‐azaindazoles and 1H‐indazoles from easily accessible hydrazones. The procedure uses TEMPO, a basic additive, and dioxygen gas as the terminal oxidant. This reaction demonstrates better reactivity, functional group tolerance, and broader scope than comparable metal catalyzed reactions.

  过渡金属-自由氧化Ç  N个耦合方法已为1的合成开发ħ -azaindazoles 1个ħ从容易获得腙-indazoles。该程序使用TEMPO（一种碱性添加剂）和双氧气体作为终端氧化剂。与可比的金属催化反应相比，该反应显示出更好的反应性，官能团耐受性和更宽的范围。
• Process for preparing 1-indanones
  申请人：——

  公开号：US20020077507A1

  公开（公告）日：2002-06-20

  The present invention relates to a process for preparing 1-indanones of formula I: 1 and isomers thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 independently represent H or a C 1 -C 20 hydrocarbon group or R 1 and R 2 or R 2 and R 3 or R 3 and R 4 and/or R 5 and R 6 together with the carbon atoms to which they are attached form a saturated or unsaturated 5- or 6-membered ring, said hydrocarbon group and/or said ring optionally containing one or more hetero atoms, said ring optionally being substituted with a C 1 -C 4 hydrocarbon group, said process comprising reacting a compound of formula II: 2 wherein R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 have the same meaning as defined above, with a chlorinating agent, followed by reaction with a Friedel-Crafts catalyst. The invention further relates to the preparation of the corresponding indenes.

  本发明涉及一种制备式I的1-吲哚酮的方法：其中R1、R2、R3、R4、R5和R6独立地代表H或C1-C20烃基或R1和R2或R2和R3或R3和R4和/或R5和R6与它们连接的碳原子一起形成饱和或不饱和的5-或6-成员环，所述烃基和/或所述环可选择地含有一个或多个杂原子，所述环可选择地被C1-C4烃基取代，所述方法包括将式II的化合物与氯化剂反应，然后与弗里德尔-克拉夫茨催化剂反应。该发明还涉及相应吲哚烯的制备。
• Novel peptides as NS3-serine protease inhibitors of hepatitis C virus
  申请人：Saksena K. Anil

  公开号：US20070032433A1

  公开（公告）日：2007-02-08

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新化合物，以及制备这些化合物的方法。在另一种实施方式中，本发明揭示了包含这些化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。