1-methoxymethyl-2,4,5-trimethyl-benzene | 18237-72-4

• 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-methoxymethyl-2,4,5-trimethyl-benzene
• 英文别名: Methoxydurol；Methoxydurene；1-(methoxymethyl)-2,4,5-trimethylbenzene
• CAS: 18237-72-4
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: GAYOTEBQCSAVLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  甲醇 、 1,2,4,5-四甲苯 在 Selectfluor 作用下， 反应 18.0h， 以61%的产率得到1-methoxymethyl-2,4,5-trimethyl-benzene
  参考文献：
  名称：

  水对甲基取代的F-TEDA-BF 4苯衍生物中苯环功能化的显着影响

  摘要：

  各种NF试剂与六甲基苯（1）在质子溶剂中反应形成侧链取代的醇盐或酯，在三氟乙酸存在下在乙腈中观察到Ritter型侧链官能化，而在乙腈水溶液中发生苯环转化，开始以ipso攻击水和进一步重新排列甲基为主要过程。重排的2,3,4,5,6,6-六甲基环己-2,4-二烯酮（7）被转化为5-氟-2,3,5,6,6-五甲基-4-亚甲基环己基-2-en- 1-酮（8）或5-羟基-2,3,5,6,6-五甲基-4-亚甲基环己基-2-烯-1-酮（9）。1,2,3,4,5,6-六甲基双环[2.2.0] hexa-2,5-二烯与F-TEDA-BF 4反应在水的存在下，以高收率形成7。Durene（12）对水的ipso攻击行为与1类似，但另一方面1,2,3,4-四甲基苯具有不同的区域选择性，并形成2,3,4,5-四甲基苯酚，进一步转化为4-氟- 2,3,4,5-四甲基环己-2,5-二烯酮。遵守二阶速率方程v = d [NF]

  DOI：

  10.1021/jo060213s

文献信息

• Catalyst and method for producing carboxylic acid and/or carboxylic anhydride in the presence of the catalyst
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP2135671A2

  公开（公告）日：2009-12-23

  An object of the present invention is to provide a catalyst exhibiting excellent performance particularly in partial oxidation reaction. Another object is to provide a method for efficiently producing carboxylic acid or carboxylic anhydride through vapor-phase partial oxidation of an organic compound by use of an oxygen-containing gas in the presence of the catalyst. The catalyst contains (1) diamond; (2) at least one species selected from among Group 5 transition element oxides, collectively called oxide A; and (3) at least one species selected from among Group 4 transition element oxides, collectively called oxide B. The method for producing a carboxylic acid or a carboxylic anhydride includes subjecting an organic compound to vapor phase partial oxidation by use of an oxygen-containing gas in the presence of the catalyst, wherein the organic compound is an aromatic compound having one or more substituents in a molecule thereof, the substituents each including a carbon atom bonded to an aromatic ring.

  本发明的一个目的是提供一种特别是在部分氧化反应中表现出优异性能的催化剂。另一个目的是提供一种方法，在催化剂存在下，通过使用含氧气体对有机化合物进行气相部分氧化，高效生产羧酸或羧酸酐。催化剂包含(1)金刚石；(2)至少一种选自第 5 族过渡元素氧化物的物质，统称为氧化物 A；(3)至少一种选自第 4 族过渡元素氧化物的物质，统称为氧化物 B。生产羧酸或羧酸酐的方法包括在催化剂存在下使用含氧气体使有机化合物进行气相部分氧化，其中有机化合物是在其分子中具有一个或多个取代基的芳香族化合物，每个取代基包括与芳香环键合的碳原子。
• Mechanism of oxidation of alkylaromatic compounds by metal ions. 4. Cerium(IV) pyridinium chloride. A novel reagent for side-chain oxidation of highly substituted methylbenzenes
  作者：Silvana Maini、Luigi Mandolini、Cesare Rol

  DOI：10.1021/jo00410a029

  日期：1978.8
• FISCHER A.; LEONARD D. R. A., CAN. J. CHEM. <CJCH-AG>, 1976, 54, NO 11, 1795-1806
  作者：FISCHER A.、 LEONARD D. R. A.

  DOI：——

  日期：——
• CATALYST AND METHOD FOR PRODUCING CARBOXYLIC ACID AND/OR CARBOXYLIC ANHYDRIDE IN THE PRESENCE OF THE CATALYST
  申请人：OKAMOTO Atsushi

  公开号：US20100036138A1

  公开（公告）日：2010-02-11

  An object of the present invention is to provide a catalyst exhibiting excellent performance particularly in partial oxidation reaction. Another object is to provide a method for efficiently producing carboxylic acid or carboxylic anhydride through vapor-phase partial oxidation of an organic compound by use of an oxygen-containing gas in the presence of the catalyst. The catalyst contains (1) diamond; (2) at least one species selected from among Group 5 transition element oxides, collectively called oxide A; and (3) at least one species selected from among Group 4 transition element oxides, collectively called oxide B. The method for producing a carboxylic acid or a carboxylic anhydride includes subjecting an organic compound to vapor phase partial oxidation by use of an oxygen-containing gas in the presence of the catalyst, wherein the organic compound is an aromatic compound having one or more substituents in a molecule thereof, the substituents each including a carbon atom bonded to an aromatic ring.
• US8357625B2
  申请人：——

  公开号：US8357625B2

  公开（公告）日：2013-01-22