1-sec-Butyl-3,5-dimethyl-benzol | 939-37-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-sec-Butyl-3,5-dimethyl-benzol
• 英文别名: 5-sec-Butyl-m-xylol；3,5-Dimethyl-sek.-butyl-benzol；1-(sec-butyl)-3,5-dimethylbenzene；Benzene, 1,3-dimethyl-5-(1-methylpropyl)；1-butan-2-yl-3,5-dimethylbenzene
• CAS: 939-37-7
• 化学式: C₁₂H₁₈
• 分子量: 162.275
• InChiKey: JRIIFSPDAWMGAN-UHFFFAOYSA-N

物化性质

• 保留指数：
  1179;1179;1194

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  盐酸 、 聚合甲醛 、 1-sec-Butyl-3,5-dimethyl-benzol 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Orientation Effects in the Alkylation of m-Xylene by Various Procedures and Reagents

  摘要：

  DOI：

  10.1021/ja01259a054
• 作为产物：
  描述：

  2,3,5,7-Tetramethyl-thionaphthen 在 镍 作用下， 生成 1-sec-Butyl-3,5-dimethyl-benzol
  参考文献：
  名称：

  Cagniant,P. et al., Bulletin de la Societe Chimique de France, 1964, p. 2423 - 2434

  摘要：

  DOI：

文献信息

• Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides
  作者：Ling Li、Chao-Yuan Wang、Rongcai Huang、Mark R. Biscoe

  DOI：10.1038/nchem.1652

  日期：2013.7

  process for the stereoretentive cross-coupling of secondary alkyl azastannatrane nucleophiles with aryl chlorides, bromides, iodides and triflates. Coupling partners with a wide range of electronic characteristics are well tolerated. The reaction occurs with minimal isomerization of the secondary alkyltin nucleophile, and with retention of absolute configuration. This process constitutes the first

  过渡金属催化的交叉偶联反应的发展极大地影响了合成复杂有机分子的方式。现在有多种方法可用于形成 C( sp 2 )–C( sp 2 ) 键，最近的工作集中在 C( sp 3) 亲电试剂和亲核试剂。由于这些烷基在反应条件下倾向于异构化，因此在交叉偶联反应中使用仲和叔烷基亲核试剂仍然是一个挑战。在这里，我们报告了一种通用的 Pd 催化工艺的发展，用于仲烷基氮杂烷烃亲核试剂与芳基氯化物、溴化物、碘化物和三氟甲磺酸酯的立体交叉偶联。具有广泛电子特性的耦合伙伴具有良好的耐受性。反应发生时，仲烷基锡亲核试剂的异构化程度最低，并保留了绝对构型。该过程构成了在交叉偶联反应中使用二级烷基锡试剂的第一种通用方法。
• Process for the preparation of alkylated aromatic carboxylic acids and
  申请人：Ciba-Geigy Corporation

  公开号：US05616787A1

  公开（公告）日：1997-04-01

  The invention relates to a process for the preparation of polyalkylated aromatic carboxylic acids of formula I ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are each independently of one another hydrogen, C.sub.1 -C.sub.20 alkyl, halogen or C.sub.5 -C.sub.8 cycloalkyl, with the proviso that at least two of the substituents R.sub.1, R.sub.2, R.sub.3, R.sub.4 or R.sub.5 are alkyl and/or cycloalkyl, by reacting corresponding aromatic hydrocarbons with carbon dioxide, which reaction is carried out observing special ratios of temperature and pressure. The invention furthermore relates to a one-pot process for the preparation of the corresponding acyl halides.

  本发明涉及一种制备公式I的多烷基芳香羧酸的过程：##STR1##其中R.sub.1，R.sub.2，R.sub.3，R.sub.4和R.sub.5各自独立地为氢，C.sub.1-C.sub.20烷基，卤素或C.sub.5-C.sub.8环烷基，但至少两个R.sub.1，R.sub.2，R.sub.3，R.sub.4或R.sub.5取代基为烷基和/或环烷基，通过将相应的芳香烃与二氧化碳反应来实现，该反应在观察特定的温度和压力比率下进行。本发明还涉及一种制备相应酰卤的一锅法过程。
• The Polybromination of Alkylbenzenes¹
  作者：G. F. Hennion、James G. Anderson

  DOI：10.1021/ja01207a023

  日期：1946.3
• The Action of Anhydrous Ferric Chloride on Alkylbenzenes¹
  作者：Dorothy Nightingale、Richard G. Taylor、H. Wayne Smelser

  DOI：10.1021/ja01846a061

  日期：1941.1
• Nickel-Catalyzed Negishi Cross-Coupling Reactions of Secondary Alkylzinc Halides and Aryl Iodides
  作者：Amruta Joshi-Pangu、Madhu Ganesh、Mark R. Biscoe

  DOI：10.1021/ol200098d

  日期：2011.3.4

  A general Ni-catalyzed process for the cross-coupling of secondary alkylzinc halides and aryl/heteroaryl iodides has been developed. This is the first process to overcome the isomerization and beta-hydride elimination problems that are associated with the use of secondary nucleophiles, and that have limited the analogous Pd-catalyzed systems. The impact of salt additives was also investigated. It was found that the presence of LiBF4 dramatically improves both isomeric retention and yield for challenging substrates.