二(4-甲基苯基)丙二酸酯 | 15014-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 二(4-甲基苯基)丙二酸酯
• 英文名称: di-p-methylphenyl malonate
• 英文别名: di-p-tolyl malonate；Malonsaeure-di-p-tolylester；Di-p-tolyl-malonat；Malonsaeure-bis-(4-methylphenyl)ester；malonic acid di-p-tolyl ester；Malonsaeure-di-p-kresylester；Bis(4-methylphenyl) propanedioate
• CAS: 15014-23-0
• 化学式: C₁₇H₁₆O₄
• 分子量: 284.312
• InChiKey: JSWAWBUBFKPUGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.176
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

反应信息

• 作为反应物：
  描述：

  二(4-甲基苯基)丙二酸酯 在 三氯化铝 作用下， 生成 6-methyl-chroman-2,4-dione
  参考文献：
  名称：

  Zur Chemie des 4-Oxy-cumarins

  摘要：

  DOI：

  10.1007/bf00899270
• 作为产物：
  描述：

  3-(4-methylphenoxy)-3-oxo-propanoic acid 生成 二(4-甲基苯基)丙二酸酯
  参考文献：
  名称：

  Eine einfache Synthese von Malonsäure-mono- und -bis-phenylestern¹

  摘要：

  DOI：

  10.1055/s-1976-24041

文献信息

• The Reaction of Carbon Suboxide with Alicyclic Diketones and with Phenols. Formation and Structure of Pyrone Derivatives
  作者：Akira Omori、Noboru Sonoda、Yuzo Uchida、Shigeru Tsutsumi

  DOI：10.1246/bcsj.42.3233

  日期：1969.11

  The reactions of carbon suboxide with alicyclic diketones and with phenols were found to give various pyrone derivatives. From the reaction of 5,5-dimethyl-1,3-cyclohexanedione, 4-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydro-2H-benzo[b]pyran-2,5-dione (II) was produced in the presence of a sulfuric acid catalyst. However, the reaction with 1,2-cyclohexanedione gave the malonic acid diester (III), and the formation of corresponding pyrone was not observed. The reaction of phenols with carbon suboxide gave only esters of malonic acid in the presence of the sulfuric acid catalyst, whereas cyclization to coumarin derivatives occurred on the presence of aluminum trichloride, in addition to the formation of the esters. The structure of the pyrone derivatives and the possible reaction mechanism were discussed.

  碳次氧化物与芳香族二酮以及酚类化合物的反应被发现可以生成多种吡喃衍生物。在5,5-二甲基-1,3-环己二酮的反应中，在硫酸催化剂的作用下，生成了4-羟基-7,7-二甲基-5,6,7,8-四氢-2H-苯并[b]吡喃-2,5-二酮（II）。然而，与1,2-环己二酮的反应生成了马来酸二酯（III），并未观察到相应的吡喃的形成。与酚类化合物的反应仅在硫酸催化剂的作用下生成马来酸酯，而在铝三氯化物的存在下，则发生了环化反应生成香豆素衍生物，并伴随生成酯。讨论了吡喃衍生物的结构和可能的反应机制。
• Enantioselective Construction of Single and Vicinal All-Carbon Quaternary Stereocenters through Ion-Pair-Catalyzed 1,6-Conjugate Addition
  作者：Yasheng Zhu、Hongliang Wang、Gang Wang、Zehua Wang、Zhaopeng Liu、Lei Liu

  DOI：10.1021/acs.orglett.1c02640

  日期：2021.9.17

  An asymmetric 1,6-conjugate addition to presynthesized δ-aryl-δ-cyano-disubstituted para-quinone methides through bifunctional phosphonium-amide-promoted ion-pair catalysis for acyclic all-carbon quaternary stereocenter construction has been described. Both acyclic and cyclic 1,3-dicarbonyls participate in the asymmetric alkylation reaction, furnishing a wide array of diarylmethanes bearing a single

  已经描述了通过双功能鏻-酰胺促进的离子对催化对预合成的 δ-芳基-δ-氰基-二取代的对-醌甲基化物进行不对称 1,6-共轭加成，用于非环状全碳四元立体中心结构。无环和环状 1,3-二羰基都参与不对称烷基化反应，提供了一系列具有单个无环季碳立体中心或邻环和无环季碳立体中心的二芳基甲烷，具有高效率和优异的立体选择性。计算研究阐明了对映选择性的起源。
• PROCESS FOR PRODUCTION OF KETOMALONIC ACID COMPOUNDS OR HYDRATES THEREOF
  申请人：Tani Shinki

  公开号：US20120004443A1

  公开（公告）日：2012-01-05

  Disclosed is a process for the production of ketomalonic acid compounds or hydrates thereof by reacting a malonic acid compound with one or more chlorous acid compounds selected from among chlorous acid and chlorites and thus oxidizing the methylene group of the malonic acid compound. The process does not necessitate highly toxic reagents, lowly safe reagents, special reactants, special reaction equipment, expensive reagents, expensive catalysts, or transition metals such as noble metals, and permits the selection of mild reaction conditions and simple operation, thus enabling efficient and easy production of ketomalonic acid compounds such as ketomalonic diesters under simple and easy conditions suitable for industrialization.

  本公开了一种通过将丙二酸化合物与从次氯酸和次氯酸盐中选择的一个或多个次氯酸化合物反应，从而氧化丙二酸化合物的亚甲基基团，生产酮丙二酸化合物或其水合物的方法。该方法不需要高毒性试剂、低安全性试剂、特殊试剂、特殊反应设备、昂贵试剂、昂贵催化剂或贵金属等过渡金属，允许选择温和的反应条件和简单的操作，从而在适合工业化的简单易操作条件下，实现了高效和简便地生产酮丙二酸化合物，如酮丙二酸二酯。
• POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT
  申请人：Nagao Masato

  公开号：US20120088888A1

  公开（公告）日：2012-04-12

  To provide a novel polyimide precursor or polyimide which can provide a liquid crystal alignment film having a low volume resistivity, a liquid crystal aligning agent containing these polymers, a liquid crystal alignment film and a novel diamine which is useful as the starting material of these polymers. A polyimide precursor having polymerized units represented by the formula (1), and characterized by satisfying any one of the following (i) to (iii): (i) the structure of X, Y or each of them in formula (1) has a group represented by the following formula (2); (ii) R 2 , R 3 or each of them in formula (1) is a group represented by the following formula (2); (iii) the structure of X, Y or each of them in formula (1) has a group represented by the following formula (2), and R 2 , R 3 or each of them is a group represented by following formula (2):

  提供一种新型聚酰亚胺前体或聚酰亚胺，可提供具有低体积电阻率的液晶取向膜，包含这些聚合物的液晶取向剂，液晶取向膜和一种新型二胺，作为这些聚合物的起始材料。聚酰亚胺前体具有由式（1）表示的聚合单元，其特征在于满足以下任一条件（i）至（iii）中的任一条件：（i）式（1）中的X、Y或它们中的每一个具有以下式（2）表示的基团的结构；（ii）式（1）中的R2、R3或它们中的每一个是以下式（2）表示的基团；（iii）式（1）中的X、Y或它们中的每一个具有以下式（2）表示的基团的结构，而R2、R3或它们中的每一个是以下式（2）表示的基团。
• LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20160244673A1

  公开（公告）日：2016-08-25

  To provide a liquid crystal aligning agent to obtain a liquid crystal alignment film which is excellent in the adhesion to a sealing agent and in the liquid crystal alignment property. A liquid crystal aligning agent containing at least one polymer selected from the group consisting of a polyimide precursor having structural units represented by the formula (1) and structural units represented by the formula (3) and an imidized polymer of the polyimide precursor: wherein X 1 and X 4 are a tetravalent organic group, Y 1 is a bivalent organic group having a thermally-leaving group, Y 2 is a bivalent organic group, R 1 and R 2 are a hydrogen atom or a C 1-5 alkyl group, and Z 1 and Z 2 are a hydrogen atom, or a C 1-10 alkyl group, C 2-10 alkenyl group or C 2-10 alkynyl group which may have a substituent.

  提供一种液晶定向剂，以获得具有优异密封剂附着性和液晶定向性的液晶定向膜。所述液晶定向剂包含至少一种聚合物，所述聚合物从以下组中选择：具有由公式（1）和公式（3）表示的结构单元的聚酰亚胺前体和聚酰亚胺前体的缩酐聚合物：其中X1和X4是四价有机基团，Y1是具有热离基的双价有机基团，Y2是双价有机基团，R1和R2是氢原子或C1-5烷基基团，Z1和Z2是氢原子或C1-10烷基基团、C2-10烯基基团或C2-10炔基基团，可以具有取代基。