methylcyclohexenetricarboxylic acid anhydride | 75910-58-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methylcyclohexenetricarboxylic acid anhydride
• 英文别名: 4-methyl-1,3-dioxo-6,7-dihydro-5H-2-benzofuran-4-carboxylic acid
• CAS: 75910-58-6
• 化学式: C₁₀H₁₀O₅
• 分子量: 210.186
• InChiKey: JDHXAOBPCCBUFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 methylcyclohexenetricarboxylic acid anhydride 以 乙醚 为溶剂， 生成 4-Methyl-1,3-dioxo-1,3,4,5,6,7-hexahydro-isobenzofuran-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Rao, H. Surya Prakash; Balasubrahmanyam, S. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 7, p. 601 - 602

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-2,6-di(ethoxycarbonyl)cyclohexanone 在 吡啶 、 盐酸 、 氯化亚砜 作用下， 生成 methylcyclohexenetricarboxylic acid anhydride
  参考文献：
  名称：

  Rao, H. Surya Prakash; Balasubrahmanyam, S. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 7, p. 601 - 602

  摘要：

  DOI：

文献信息

• PROCESS FOR THE PREPARATION OF NITRO COMPOUNDS AND METHOD FOR THE REMOVAL OF NITROGEN DIOXIDE
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP1099684A1

  公开（公告）日：2001-05-16

  In the invented process for producing a nitro compound, an organic substrate and nitrogen dioxide are reacted in the presence of oxygen or are reacted in a molar ratio of nitrogen dioxide to the organic substrate of less than 1 to yield a corresponding nitro compound. The reaction may be performed in the presence of N-hydroxyphthalimide or other imide compounds. Such organic substrates include (a) aliphatic hydrocarbons, (b) alicyclic hydrocarbons, (c) non-aromatic heterocyclic compounds each having a carbon atom on a ring, which carbon atom is bonded to a hydrogen atom, (d) compounds each having a carbon-hydrogen bond at the adjacent position to an aromatic ring, and (e) compounds each having a carbon-hydrogen bond at the adjacent position to a carbonyl group. This process can efficiently nitrate an organic substrate even under relatively mild conditions.

  在制备硝基化合物的发明过程中，有机底物和二氧化氮在氧气存在下反应，或者在二氧化氮与有机底物的摩尔比小于1的情况下反应，以产生相应的硝基化合物。该反应可以在N-羟基邻苯二甲酰亚胺或其他亚酰胺化合物存在下进行。这样的有机底物包括(a) 脂肪烃，(b) 脂环烃，(c) 非芳香杂环化合物，每个环上的碳原子与氢原子相结合，(d) 每个化合物在芳香环旁边位置具有碳氢键，以及(e) 每个化合物在酮基旁边位置具有碳氢键。这个过程可以在相对温和的条件下有效地对有机底物进行硝化。
• Process for the preparation of organic compounds with manganese cataylsts or the like
  申请人：——

  公开号：US20020165416A1

  公开（公告）日：2002-11-07

  A process of the present invention produces an organic compound by allowing a compound containing an electron attractive group of following Formula (1): 1 wherein Y is an electron attractive group; and R b and R c are each a hydrogen atom or an organic group, where Y, R b and R c may respectively be combined with each other to form a ring with an adjacent carbon atom, to react with a compound containing an unsaturated carbon-carbon bond of following Formula (2) or 2 wherein R d , R e , R f , R g , R i and R j are each a hydrogen atom or an organic group, where R d , R e , R f and R g may respectively be combined to form a ring with one or two adjacent carbon atoms, and R i and R j may be combined to form a ring with adjacent two carbon atoms, in the presence of oxygen and a catalytic compound of a Group 5, 6, 7, 8 or 9 element of the Periodic Table of Elements to yield a compound of following Formula (3) or (8): 3 wherein Z is a hydrogen atom or a hydroxyl group; and Y, R b , R c , R d , R e , R f , R g , R i and R j have the same meanings as defined above. This process can efficiently produce a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, or a derivative thereof, by catalytic radical addition reaction.

  本发明的一种过程通过允许含有下式（1）中的电子亲合基团的化合物与含有下式（2）的不饱和碳-碳键的化合物在氧气和周期表元素的5、6、7、8或9族的催化化合物存在下反应，产生下式（3）或（8）的化合物： 其中Y是一个电子亲合基团；Rb和Rc分别是氢原子或有机基团，其中Y、Rb和Rc可以分别结合在一起形成与相邻碳原子的环；Rd、Re、Rf、Rg、Ri和Rj分别是氢原子或有机基团，其中Rd、Re、Rf和Rg可以分别结合在一起形成与一个或两个相邻碳原子的环，而Ri和Rj可以结合在一起形成与相邻两个碳原子的环。这个过程可以通过催化自由基加成反应高效地产生在电子亲合基团的α位结合有烷基或烯基基团的化合物，或其衍生物。
• Process for producing organic peroxides
  申请人：——

  公开号：US20040039215A1

  公开（公告）日：2004-02-26

  A process of the invention allows a cycloalkane to react with oxygen in the presence of a catalytic imide compound having an N-hydroxy (or N-oxo) cyclic imide skeleton and thereby yields a corresponding bis(1-hydroxycycloalkyl)peroxide. The catalytic imide compound includes, for example, a compound represented by following Formula (1): 1 wherein R 1 and R 2 are each, for example, a hydrogen atom, a halogen atom, an alkyl group, an aryl group or a cycloalkyl group, where R 1 and R 2 may be combined to form a double bond, an aromatic or non-aromatic ring; and X is an oxygen atom or a hydroxyl group. The cycloalkane includes, for example, a cycloalkane having from 5 to 15 members. The invention can easily produce bis(1-hydroxycycloalkyl)peroxide from an inexpensive material.

  该发明的一个过程允许环烷烃在催化亚胺化合物的存在下与氧气发生反应，从而产生相应的双(1-羟基环烷基)过氧化物。催化亚胺化合物包括例如由以下化学式(1)表示的化合物：其中R1和R2可以分别是氢原子、卤素原子、烷基、芳基或环烷基，其中R1和R2可以结合形成双键、芳香环或非芳香环；X是氧原子或羟基。环烷烃包括例如具有5至15个成员的环烷烃。该发明可以从廉价材料轻松生产双(1-羟基环烷基)过氧化物。
• PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID
  申请人：Shibamoto Akihiro

  公开号：US20110071313A1

  公开（公告）日：2011-03-24

  A process for allowing an oxidation reaction efficiently to produce an object aromatic carboxylic acid with an efficient productivity by improving a catalyst activity even in the presence of a relatively small amount of a catalyst is provided. The process comprises oxygen-oxidizing an aromatic compound having an alkyl group and/or an alkylene group as a substrate in the presence of a catalyst containing a cyclic imino unit having an N—OR group (wherein R represents a hydrogen atom or a protecting group for a hydroxyl group) and a transition metal co-catalyst (a cobalt compound, a manganese compound, and a zirconium compound) to produce the aromatic carboxylic acid corresponding to the aromatic compound. The oxidation reaction is carried out with feeding a mixture of the catalyst and at least one member selected from the group consisting of the substrate, a reaction intermediate (e.g., a ketone and an aldehyde), and a reaction product (e.g., water and an aromatic carboxylic acid) successively or continuously to the oxidation reaction system. The oxidation reaction may usually be carried out in the absence of a reaction solvent. The reaction may be conducted with removing water produced by the reaction from the reaction system.

  提供了一种使氧化反应能够高效产生一种芳香羧酸对象的过程，通过改善催化剂的活性，即使在存在相对少量催化剂的情况下也能实现高效产出。该过程包括在催化剂的存在下，氧氧化具有烷基基团和/或烷烯基团的芳香化合物作为底物，其中催化剂含有具有N—OR基团（其中R代表氢原子或羟基的保护基团）的环状亚胺单元和过渡金属辅助催化剂（钴化合物，锰化合物和锆化合物），以产生与芳香化合物相对应的芳香羧酸。氧化反应是通过将催化剂和底物、反应中间体（例如酮和醛）以及反应产物（例如水和芳香羧酸）的混合物连续或逐步地加入氧化反应系统中来进行的。通常可以在没有反应溶剂的情况下进行氧化反应。反应可以通过从反应系统中除去反应产生的水来进行。
• Malic acid and oxalacetic acid derivatives
  申请人：——

  公开号：US20010056120A1

  公开（公告）日：2001-12-27

  A malic acid or oxalacetic acid derivative is represented by the following formula (1): 1 wherein ring Z is an alicyclic carbon ring; each of R a and R b is independently a hydrogen atom, a metal atom, or an organic group; and Y is a hydroxyl group or an oxygen atom, where ring Z is a bridged carbon ring or a monocyclic carbon ring having eight or more members when Y is an oxygen atom. The alicyclic carbon ring includes, for example, cyclooctane ring and adamantane ring. This compound is a novel malic acid derivative having an alicyclic group bonded to a carbon atom at the 3-position, or a novel oxalacetic acid derivative having a specific alicyclic group bonded to a carbon atom at the 3-position.

  以下是一种苹果酸或草酸衍生物的化学式（1）： 其中，环Z是一个脂环碳环；Ra和Rb分别是氢原子，金属原子或有机基团；Y是一个羟基或氧原子。当Y是氧原子时，环Z是一个桥接的碳环或具有八个或更多成员的单环碳环。脂环碳环包括环辛烷环和金刚烷环。该化合物是一种新型苹果酸衍生物，其具有与3位碳原子结合的脂环基团，或一种新型草酸衍生物，其具有特定的脂环基团结合到3位碳原子。