3-(4-methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione | 7133-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(4-methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione
• 英文别名: 3-p-tolyl-benzo[e][1,3]oxazine-2,4-dione；3-p-tolyl-benz[e][1,3]oxazine-2,4-dione；3-p-Tolyl-benz[e][1,3]oxazin-2,4-dion；3-(p-Tolyl)-2,4-dioxo-3,4-dihydro-2H-1.3-benzoxazin；3-(4-Methylphenyl)-1,3-benzoxazine-2,4-dione
• CAS: 7133-79-1
• 化学式: C₁₅H₁₁NO₃
• 分子量: 253.257
• InChiKey: SORYQVTVJSQUPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-p-tolyl-2-p-tolylimino-2,3-dihydro-benz[e][1,3]oxazin-4-one 在 盐酸 作用下， 生成 3-(4-methylphenyl)-2H-1,3-benzoxazine-2,4(3H)-dione
  参考文献：
  名称：

  The Synthesis of Heterocyclic Compounds by Means of Isothiourea Ethers

  摘要：

  DOI：

  10.1021/ja01339a045

文献信息

• New Groups of Potential Antituberculotics: 3-Aryl-2H,4H-benz[e][1,3]oxazine-2,4-diones. Comparison of the Topliss Approach with Regression Analysis
  作者：Karel Waisser、Lenka Kubicová、Věra Klimešová、Želmíra Odlerová

  DOI：10.1135/cccc19932977

  日期：——

  3-Phenyl-2H,4H-benz[e][1,3]oxazine-2,4-dione (I) and its derivatives II - XI, substituted on the phenyl ring, can be regarded as a new group of potential antituberculotics. Their activity increases with increasing electron-accepting properties of the substituents. introduction of bromine into the position 6 also positively influences the activity. the compounds are active in vitro against Mycobacterium tuberculosis and M. kansasii. The activity of some of them (VIII, IX0 exceeds that of commercial tuberculostatics used as standards.

  3-苯基-2H,4H-苯[e][1,3]噁嗪-2,4-二酮(I)及其苯环上取代的衍生物II-XI，可视为一组新的潜在抗结核药物。随着取代基电子受体性质的增加，它们的活性也会增加。在位置6引入溴也会对活性产生积极影响。这些化合物在体外对结核分枝杆菌和堪萨斯分枝杆菌具有活性。其中一些化合物(VIII，IX)的活性超过了作为标准使用的商业抗结核药物。
• Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1,3-dihydro-2H-isoindole-1,3-diones and 3-(4-X-Phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones
  作者：Miroslav Holík、Zdeněk Friedl、Karel Waisser、Jiří Gregor

  DOI：10.1135/cccc19991709

  日期：——

  Two series of para disubstituted benzenes were studied: 2-(4-X-phenyl)-1,3-dihydro- 2H-isoindole-1,3-diones (1) and 3-(4-X-phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones (2). Their ¹H and ¹³C chemical shifts were correlated with substituent shift increments (SSI) a_j and z_j, respectively. For ¹³C chemical shifts, all four z_j values, z_i, z_o, z_m, and z_p, were used to check the assignment and to find out possible variables for improvement of regression equations. Significant deviations from plain additivity were observed in the case of δ_H3 and δ_C3 chemical shifts. This can be explained by changes in diamagnetic anisotropy contribution induced by different twist of 4-substituent from the benzene plane caused by variable substituent in position 1.

  研究了两组para二取代苯：2-(4-X-苯基)-1,3-二氢-2H-异吲哚-1,3-二酮(1)和3-(4-X-苯基)-3,4-二氢-2H-1,3-苯并噁嗪-2,4-二酮(2)。它们的¹H和¹³C化学位移与取代基位移增量(SSl) a_j和z_j相关。对于¹³C化学位移，所有四个z_j值，z_i，z_o，z_m和z_p，都被用来检查分配并找出可能改进回归方程的变量。在δ_H3和δ_C3化学位移的情况下观察到明显的偏离简单加性。这可以通过由位于位置1的可变取代基引起的苯环平面外4-取代基的不同扭曲引起的抗磁性异向贡献的变化来解释。
• Compositions for use in golf balls
  申请人：Wu Shenshen

  公开号：US20050119451A1

  公开（公告）日：2005-06-02

  Golf balls comprising elastomer compositions are presently disclosed. These elastomer compositions comprise reaction products of polyisocyanates and telechelic polymers having isocyanate-reactive end-groups such as hydroxyl groups and/or amine groups. These elastomer compositions can be used in any one or more portions of the golf balls, such as inner core layer, intermediate core layer, outer core layer, intermediate layer, cover, inner cover layer, intermediate cover layer, and/or outer cover layer.

  目前公开了由弹性体组合物组成的高尔夫球。这些弹性体组合物包括多异氰酸酯和具有异氰酸酯反应性端基如羟基和/或胺基的远志聚合物的反应产物。这些弹性体组合物可用于高尔夫球的任何一个或多个部分，如内芯层、中间芯层、外芯层、中间层、盖层、内盖层、中间盖层和/或外盖层。
• COMPOSITIONS FOR USE IN GOLF BALLS
  申请人：Rajagopalan Murali

  公开号：US20060014923A1

  公开（公告）日：2006-01-19

  A golf ball having a core and at least one layer disposed about the core is disclosed. The at least one layer is formed from a composition having multiple reactive and/or non-reactive ingredients. At least one of these ingredients is a sterically hindered polyamine, preferably formed from an active hydrogen functional compound and an amine/acid ortho- or meta-substituted cyclic compound.

  本发明公开了一种高尔夫球，它具有一个球芯和围绕球芯设置的至少一层。至少一层由具有多种活性和/或非活性成分的组合物形成。这些成分中至少有一种是立体受阻多胺，最好由活性氢官能团化合物和胺/酸正代或偏代环状化合物形成。
• Wagner; Singer; Weuffen, Pharmazie, 1966, vol. 21, # 3, p. 161 - 166
  作者：Wagner、Singer、Weuffen

  DOI：——

  日期：——