3,5-Dimethyl-benzylacetat | 5159-42-2

• 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: 3,5-Dimethyl-benzylacetat
• 英文别名: 3,5-dimethylbenzyl acetate；3,5-Dimethylphenylmethyl acetate；(3,5-dimethylphenyl)methyl acetate
• CAS: 5159-42-2
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD25977410
• 分子量: 178.231
• InChiKey: OWPUBPCQWJIARX-UHFFFAOYSA-N

物化性质

• 沸点：
  110-112 °C(Press: 6 Torr)
• 密度：
  1.019±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-Dimethyl-benzylacetat 在 氢氧化钾 作用下， 生成 3,5-二甲基苯甲醇
  参考文献：
  名称：

  Wispek, Chemische Berichte, 1883, vol. 16, p. 1577

  摘要：

  DOI：
• 作为产物：
  描述：

  均三甲苯 以18%的产率得到
  参考文献：
  名称：

  NYBERG K.; WISTRAND L.-G., ACTA CHEM. SCAND. , 1975, B29, NO 5, 629-630

  摘要：

  DOI：

文献信息

• The Liquid-phase Oxidation of Methylbenzenes by the Cobalt-Copper-Bromide System
  作者：Toshihiko Okada、Yoshio Kamiya

  DOI：10.1246/bcsj.54.2724

  日期：1981.9

  The liquid-phase oxidation of methylbenzenes catalyzed by a catalyst system composed of cobalt(II) and copper(II) acetates and sodium bromide was carried out in acetic acid at 150 °C. The corresponding benzyl acetates and benzaldehydes were obtained in high selectivities in most cases. A nuclear-brominated product, i.e., 3-bromo-4-methoxytoluene was also obtained in the oxidation of p-methoxytoluene

  由乙酸钴（II）和乙酸铜（II）和溴化钠组成的催化剂体系催化甲基苯的液相氧化，在乙酸中于 150 °C 下进行。在大多数情况下，以高选择性获得相应的乙酸苄酯和苯甲醛。在对甲氧基甲苯的氧化中也得到核溴化产物，即3-溴-4-甲氧基甲苯，其具有两个不同的反应位点，即供电子甲氧基取代基的邻位和苄基位。然而，在催化剂体系中溴离子取代乙酸根离子对侧链氧化产物具有令人满意的选择性。在对二甲苯氧化中，还得到了α,α'-二乙酰氧基-对二甲苯和对（乙酰氧基甲基）苯甲酸，以及对甲基乙酸苄酯，虽然他们的金额很小。还进行了多甲基苯的氧化。
• Electron-transfer chain catalysis of substitution reactions. Experimental evidence for the S_ON2 mechanism
  作者：Lennart Eberson、Lennart Jönsson

  DOI：10.1039/c39800001187

  日期：——

  Two possible cases of an oxidative electron-transfer chain catalysis mechanism, the SON2 mechanism, are presented: the anodic ‘oxidation’ of 4-fluoroanisole in the presence of acetate ion to give 4-acetoxyanisole, and the CuIII‘oxidation’ of chloro- and fluoro-benzene in the presence of water to give phenol.

  介绍了氧化电子转移链催化机理的两种可能的情况，即S ON 2机理：在乙酸根离子存在下4-氟茴香醚的阳极“氧化”生成4-乙酰氧基苯甲醚，以及Cu III “氧化”在水的存在下，加入氯苯和氟苯，得到苯酚。
• SUBSTITUTED IMIDAZOLES
  申请人：CHUBB NATHAN ANTHONY LOGAN

  公开号：US20070167506A1

  公开（公告）日：2007-07-19

  This invention relates to a range of alpha substituted 2-benzyl substituted imidazole compounds and pharmaceutically acceptable salts and solvates thereof, to compositions comprising such compounds, processes for their synthesis and their use as parasiticides.

  本发明涉及一系列α取代的2-苄基取代咪唑化合物及其药用可接受盐和溶剂化合物，包括这些化合物的组合物、合成过程以及它们作为驱虫剂的用途。
• Process for producing organic compounds using nitrites
  申请人：——

  公开号：US20030171618A1

  公开（公告）日：2003-09-11

  A process produces an organic compound by allowing (A) a compound capable of generating a free radical to react with (B) at least one of esters and salts of nitrous acid in the presence of a nitrogen-containing cyclic compound constitutively having a skeleton represented by following Formula (i) in its ring: 1 wherein X is an oxygen atom or an —OR group, and wherein R is a hydrogen atom or a hydroxyl-protecting group. Examples of the nitrogen-containing cyclic compound are cyclic imide compounds having a cyclic imide skeleton represented by following Formula (I): 2 wherein n is 0 or 1; X is an oxygen atom or an —OR group, and wherein R is a hydrogen atom or a hydroxyl-protecting group.

  该过程通过允许（A）具有产生自由基的化合物与（B）硝酸酯和盐中至少一种在氮含环腺嘌呤化合物的存在下反应来产生有机化合物，该氮含环腺嘌呤化合物在其环中具有以下式（i）所表示的骨架：1其中X为氧原子或-OR基团，R为氢原子或羟基保护基团。氮含环腺嘌呤化合物的示例是具有以下式（I）所表示的环状咪唑酰衍生物骨架的环状咪唑化合物：2其中n为0或1；X为氧原子或-OR基团，R为氢原子或羟基保护基团。
• Novel multi-branched polymer
  申请人：Aoyagi Koichiro

  公开号：US20070142504A1

  公开（公告）日：2007-06-21

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R 1 to R 3 each independently represents hydrogen or a hydrocarbon group, R 1 may be bonded to R 3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链末端可以容易地修改，并具有高度分支和窄分散度。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以产生具有窄分散度和高度分支的多支化聚合物，并具有由式（I）表示的重复单元：其中R1至R3各自独立表示氢或碳氢基团，R1可以与R3连接形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有末端可能有卤素原子的功能基团；a是2或更大的整数。