2,2'-bis(benzo-1,3-oxazinyl)-6,6'-dione | 40728-87-8

• 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: 2,2'-bis(benzo-1,3-oxazinyl)-6,6'-dione
• 英文别名: [2,2']bi[benz[d][1,3]oxazinyl]-4,4'-dione；[2,2']Bi(benz[d][1,3]oxazinyl)-4,4'-dion；4H,4'H-[2,2'-Bi-3,1-benzoxazine]-4,4'-dione；2-(4-oxo-3,1-benzoxazin-2-yl)-3,1-benzoxazin-4-one
• CAS: 40728-87-8
• 化学式: C₁₆H₈N₂O₄
• 分子量: 292.251
• InChiKey: KHZAFBDLLLUOQB-UHFFFAOYSA-N

物化性质

• 沸点：
  496.7±28.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2'-bis(benzo-1,3-oxazinyl)-6,6'-dione 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2,2'-oxamidobis(benzoic acid)
  参考文献：
  名称：

  Heller, Chemische Berichte, 1915, vol. 48, p. 1191

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-oxamidobis(benzoic acid) 在 乙酸酐 作用下， 生成 2,2'-bis(benzo-1,3-oxazinyl)-6,6'-dione
  参考文献：
  名称：

  Heller, Chemische Berichte, 1915, vol. 48, p. 1191

  摘要：

  DOI：

文献信息

• [EN] TRIARYLMETHANE COMPOUNDS<br/>[FR] COMPOSÉS DE TRIARYLMÉTHANE
  申请人：REUTER CHEMISCHE APPBAU KG

  公开号：WO2019154727A1

  公开（公告）日：2019-08-15

  The present invention relates to triarylmethane compounds of the formula (I), which are suitable as monomers for preparing thermoplastic resins having beneficial optical properties and which can be used for producing optical devices. (I) where R1, R2 are e.g. hydrogen; Y is an alkylene group having 2, 3 or 4 carbon atoms, Ar is selected from mono-or polycyclic aryl and mono-or polycyclic hetaryl; X1, X2, X3, X4 are CH, C-Rx or N, provided that in each ring at most two of X1, X2, X3, X4 are N; Rx is e.g. halogen, CN or CH=CH2. The invention also relates to thermoplastic resins comprising a polymerized unit of the compound of formula (I).

  本发明涉及具有以下式（I）的三芳基甲烷化合物，该化合物适用作为制备具有有益光学性能的热塑性树脂的单体，并可用于生产光学器件。其中R1，R2例如是氢；Y是具有2、3或4个碳原子的烷基基团，Ar选自单环或多环芳基和单环或多环杂芳基；X1、X2、X3、X4是CH、C-Rx或N，要求在每个环中最多有两个是N；Rx例如是卤素、CN或CH=CH2。该发明还涉及包含具有上述式（I）化合物的聚合单元的热塑性树脂。
• Identification of degradation products of indigoids by tandem mass spectrometry
  作者：Katarzyna Witkoś、Katarzyna Lech、Maciej Jarosz

  DOI：10.1002/jms.3641

  日期：2015.11

  The study concerns identification of photodegradation products of indigotin, indirubin and isoindigo. Experimental methodology consists of degradation of standard solutions of indigoids in a solar box and analysis of samples taken at different aging time by using capillary high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometric and spectrophotometric detectors. Identification of the formed compounds was based on careful interpretation of the electrospray ionization MS/MS spectra. Apart from the well-known degradation products of indigoids: isatin, isatoic anhydride and anthranilic acid, another seven species were also identified, and their proposed structures were confirmed by high-resolution molecular masses measurements; according to the best knowledge of authors, they have not been reported so far. The obtained results formed the basis for postulating mechanism of the process. Moreover, the MRM (Multiple Reaction Monitoring) method was developed for the identification of natural dyes and their degradation products in textiles of historical value. Apart from such colorants as indigotin and flavonoids, also presence of degradation products of indigoids was confirmed. Copyright © 2015 John Wiley & Sons, Ltd.

  研究涉及靛蓝、靛红和异靛的光降解产物的鉴定。实验方法包括在太阳箱中对靛蓝标准溶液进行降解，并使用毛细管高效液相色谱法结合电喷雾离子化串联质谱和分光光度检测器对不同老化时间的样品进行分析。根据对电喷雾电离 MS/MS 图谱的仔细解读，对形成的化合物进行了鉴定。除了众所周知的靛蓝降解产物：异靛红、异靛酸酐和蚁酸外，还鉴定出另外七种化合物，并通过高分辨率分子质量测量确认了它们的拟议结构；据作者所知，这些化合物迄今为止尚未见报道。所获得的结果为推测这一过程的机理奠定了基础。此外，还开发了 MRM（多重反应监测）方法，用于鉴定具有历史价值的纺织品中的天然染料及其降解产物。除了靛红和类黄酮等着色剂外，还确认了靛蓝的降解产物。Copyright © 2015 John Wiley & Sons, Ltd. All Rights Reserved.
• [EN] POLYCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS POLYCYCLIQUES
  申请人：REUTER CHEMISCHE APPBAU E K

  公开号：WO2020079225A1

  公开（公告）日：2020-04-23

  The present invention relates to compounds of the formula (I), which are suitable as monomers for preparing thermoplastic resins having beneficial optical properties and which can be used for producing optical devices. In Formula (I), A1, A2 are selected from mono- or bicyclic aromatic radicals and mono- or bicyclic heteroaromatic radicals; X represents e.g. a single bond, O, NH, CR6R7; Y is e.g. absent or represents a single bond, O, NH, CR8R9; R1, R2 are hydrogen, a radical Ar' or a radical Ra; R3 is Alk, O-Alk'-, O-Alk'-[O-Alk']o, O-CH2-Ar-C(O)-, O-C(O)-Ar-C(O)-or O-Alk-C(O)-,where in the last five moieties the left O is bound to A1 and A2, respectively; m, n are 0, 1 or 2; o is an integer from 1 to 10; R4, R5 are e.g. selected from CN and a radical Ra; R6, R8 are e.g. selected from hydrogen, a radical Ar' and a radical Ra; R7, R9 are e.g. selected from hydrogen, C1-C4-alkyl and a radical Ar'; Ra is selected from the group consisting of C≡C-R11 and Ar-C≡C-R11; R11 is e.g. selected from hydrogen, methyl, mono- or polycyclic aryl having from 6 to 26 carbon atoms and mono- or polycyclic hetaryl having a total of 5 to 26 atoms, which are ring members, where 1, 2, 3 or 4 of the ring atoms of hetaryl are selected from nitrogen, sulphur and oxygen, while the remainder of these atoms are carbon atoms, where mono- or polycyclic aryl are unsubstituted or substituted; and Ar is e.g. phenylene or naphthylene. The invention also relates to thermoplastic resins comprising a polymerized unit of the compound of formula (I) and to optical devices made of such resins.

  本发明涉及公式（I）的化合物，这些化合物适用作为单体制备具有有益光学性能的热塑性树脂，并可用于制造光学器件。在公式（I）中，A1、A2选自单环或双环芳香基团和单环或双环杂芳基团；X代表例如单键，O，NH，CR6R7；Y例如缺失或代表单键，O，NH，CR8R9；R1、R2为氢，基团Ar'或基团Ra；R3为Alk，O-Alk'-，O-Alk'-[O-Alk']o，O-CH2-Ar-C(O)-，O-C(O)-Ar-C(O)-或O-Alk-C(O)-，在最后五个基团中，左侧的O分别与A1和A2结合；m、n为0、1或2；o为1到10的整数；R4、R5例如选自CN和基团Ra；R6、R8例如选自氢，基团Ar'和基团Ra；R7、R9例如选自氢，C1-C4-烷基和基团Ar'；Ra选自C≡C-R11和Ar-C≡C-R11的组，R11例如选自氢，甲基，含有6到26个碳原子的单环或多环芳基和含有总共5到26个原子的单环或多环杂芳基，其中环原子中的1、2、3或4个来自氮、硫和氧，其余原子为碳原子，其中单环或多环芳基是未取代或取代的；Ar例如苯基或萘基。该发明还涉及包含公式（I）化合物聚合单元的热塑性树脂以及由这种树脂制成的光学器件。
• Low color, low sodium benzoxazinone UV absorbers and process for making same
  申请人：——

  公开号：US20030096889A1

  公开（公告）日：2003-05-22

  The present invention relates to benzoxazinone compounds having a yellow index less than about 0, and a sodium concentration less than about 50 ppm. This invention also relates to a process for preparing these compounds comprising the step of reacting an isatoic anhydride with approximately stoichiometric amounts of an acylating compound, where the isatoic anhydride is purified by re-crystallization or other purification methods.

  本发明涉及具有黄指数小于约0和钠浓度小于约50 ppm的苯并噁唑酮化合物。本发明还涉及一种制备这些化合物的方法，包括将异恶唑酸酐与大约化学计量量的酰化化合物反应的步骤，其中异恶唑酸酐通过重结晶或其他纯化方法纯化。
• Certain polyester compositions which comprise cyclohexanedimethanol, moderate cyclobutanediol, cyclohexanedimethanol, and high trans cyclohexanedicarboxylic acid
  申请人：Moody Leslie Shane

  公开号：US20070232779A1

  公开（公告）日：2007-10-04

  Described as one aspect of the invention are polyester compositions A polyester composition comprising at least one polyester which comprises: (A) a dicarboxylic acid component comprising: i) 70 to 100 mole % of cyclohexanedicarboxylic acid residues or an ester thereof comprising: (a) 80 to 99 mole % trans-cyclohexanedicarboxylic acid residues or an ester thereof; and (b) 1 to 20 mole % cis-cyclohexanedicarboxylic acid residues or an ester thereof; ii) 0 to 30 mole % of aliphatic dicarboxylic acid residues, other than cyclohexanedicarboxylic acid residues, having up to 16 carbon atoms or esters thereof, other than cyclohexanedicarboxylic acid residues; and iii) 0 to 10 mole % of aromatic dicarboxylic acid residues having up to 20 carbon atoms; and (B) a glycol component comprising: i) 5 to 35 mole % of 2,2,4,4-tetramethyl-1,3-cyclobutanediol residues; and ii) 65 to 95 mole % of 1,4-cyclohexanedimethanol residues, 1,3-cyclohexanedimethanol residues, 1,2-cyclohexanedimethanol residues or esters thereof or mixtures thereof, wherein the total mole % of said dicarboxylic acid component is equal to 100 mole %; the total mole % of said glycol component is equal to 100 mole %; wherein the inherent viscosity of said polyester is from 0.35 to 1.2 dL/g as determined in 60/40 (wt/wt) phenol/tetrachloroethane at a concentration of 0.5 g/100 ml at 25° C.; and wherein said polyester has a Tg of from 66 to 120° C. The polyesters may be manufactured into articles.

  本发明的一方面是聚酯组合物，其中包括至少一种聚酯，该聚酯包括：(A) 二羧酸组分，包括：i) 70至100摩尔％的环己二甲酸残基或其酯，包括：(a) 80至99摩尔％的反式环己二甲酸残基或其酯；和(b) 1至20摩尔％的顺式环己二甲酸残基或其酯；ii) 0至30摩尔％的具有高达16个碳原子的脂肪族二羧酸残基（环己二甲酸残基除外）或其酯；以及iii) 0至10摩尔％的具有高达20个碳原子的芳香族二羧酸残基；和(B) 二元醇组分，包括：i) 5至35摩尔％的2,2,4,4-四甲基-1,3-环丁二醇残基；和ii) 65至95摩尔％的1,4-环己二甲醇残基，1,3-环己二甲醇残基，1,2-环己二甲醇残基或其酯或其混合物，其中所述二羧酸组分的总摩尔％等于100摩尔％；所述二元醇组分的总摩尔％等于100摩尔％；其中所述聚酯的固有粘度在60/40（重量/重量）苯酚/四氯乙烷中以0.5 g / 100 ml浓度在25°C下测定为0.35至1.2 dL / g；且所述聚酯的Tg在66至120°C之间。这些聚酯可以制成物品。