3-benzoyl-6-nitro-2H-chromen-2-one | 59803-33-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-benzoyl-6-nitro-2H-chromen-2-one
• 英文别名: 6-Nitro-3-benzoylcoumarin；3-benzoyl-6-nitro-coumarin；3-Benzoyl-6-nitro-cumarin；3-benzoyl-6-nitrochromen-2-one
• CAS: 59803-33-7
• 化学式: C₁₆H₉NO₅
• 分子量: 295.251
• InChiKey: FZFUZACPHSNNEC-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C
• 沸点：
  525.5±50.0 °C(Predicted)
• 密度：
  1.447±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-benzoyl-6-nitro-2H-chromen-2-one 在 羟胺 作用下， 生成 3-(α-hydroxyimino-benzyl)-6-nitro-coumarin
  参考文献：
  名称：

  Pandya; Pandya, Agra University Journal of Research, Science, 1955, vol. 4, p. 345,346, 352

  摘要：

  DOI：
• 作为产物：
  描述：

  苯甲酰乙腈 在 盐酸 、 硫酸 、 硝酸 、 溶剂黄146 作用下， 生成 3-benzoyl-6-nitro-2H-chromen-2-one
  参考文献：
  名称：

  Ghosal, Journal of the Indian Chemical Society, 1926, vol. 3, p. 106

  摘要：

  DOI：

文献信息

• DENTAL ADHESIVE
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170196778A1

  公开（公告）日：2017-07-13

  The present invention provides a dental adhesive exhibiting excellent initial bond strength and bond durability to both enamel and dentin. The present invention relates to a dental adhesive containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); and a water-soluble polymerizable monomer (c). The asymmetric acrylamide-methacrylic acid ester compound (a) is represented by the following general formula (1): where X is an optionally substituted, linear or branched C 1 to C 6 aliphatic group or an optionally substituted aromatic group, the aliphatic group is optionally interrupted by at least one linking group selected from the group consisting of —O—, —S—, —CO—, —CO—O—, —O—CO—, —NR 1 —, —CO—NR 1 —, —NR 1 —CO—, —CO—O—NR 1 —, —O—CO—NR 1 —, and —NR 1 —CO—NR 1 —, and R 1 is a hydrogen atom or an optionally substituted, linear or branched C 1 to C 6 aliphatic group.

  本发明提供了一种牙科粘接剂，具有优异的初始粘接强度和对牙釉质和牙本质的粘接耐久性。本发明涉及一种含有以下成分的牙科粘接剂：不对称丙烯酰胺-甲基丙烯酸酯化合物（a）；含酸基的（甲基）丙烯酸聚合单体（b）；以及水溶性聚合单体（c）。不对称丙烯酰胺-甲基丙烯酸酯化合物（a）由下述一般式（1）表示：其中X是可选择取代的线性或支链状的C1到C6脂肪族基或可选择取代的芳香族基，所述脂肪族基可被来自由—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—组成的至少一个连接基中断，R1为氢原子或可选择取代的线性或支链状的C1到C6脂肪族基。
• Tunable Phosphine-Triggered Cascade Reactions of MBH Derivatives and 3-Acyl-2<i>H</i>-chromen-2-ones: Highly Selective Synthesis of Diverse Chromenones
  作者：Wei Yuan、Hu-Fei Zheng、Zhi-Hua Yu、Zi-Long Tang、De-Qing Shi

  DOI：10.1002/ejoc.201301358

  日期：2014.1

  Diverse chromenones were synthesized through tunable phosphine-mediated cascade reactions between 3-acyl-2H-chromen-2-ones and Morita–Baylis–Hillman (MBH) derivatives. With different phosphine loadings and reaction temperatures, MBH derivatives act either as C1 or C3 synthons for the construction of potential biologically active 3-dihydrofuran-fused chromen-2-ones, 4-allyl-3-acyl-chromen-2-ones, or

  通过可调膦介导的 3-acyl-2H-chromen-2-ones 和 Morita-Baylis-Hillman (MBH) 衍生物之间的级联反应合成了多种色酮。在不同的膦负载量和反应温度下，MBH 衍生物充当 C1 或 C3 合成子，用于构建潜在的生物活性 3-二氢呋喃稠合 chromen-2-ones、4-allyl-3-acyl-chromen-2-ones，或6H-benzo[c]chromen-6-ones。该方法具有条件温和、后处理简单、底物适用范围广等优点，可有效合成多种色酮衍生物。
• SELF-ADHESIVE DENTAL COMPOSITE RESIN
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20170135910A1

  公开（公告）日：2017-05-18

  The present invention provides a self-adhesive composite resin having excellent adhesiveness to tooth structures and excellent mechanical strength. The present invention relates to a self-adhesive dental composite resin containing: an asymmetric acrylamide-methacrylic acid ester compound (a); an acid group-containing (meth)acrylic polymerizable monomer (b); a hydrophobic crosslinkable polymerizable monomer (c); a photopolymerization initiator (d); and a filler (e). The asymmetric acrylamide-methacrylic acid ester compound (a) is represented by the following general formula (1): where X is an optionally substituted, linear or branched C 1 to C 6 aliphatic group or an optionally substituted aromatic group, the aliphatic group is optionally interrupted by at least one linking group selected from the group consisting of —O—, —S—, —CO—, —CO—O—, —O—CO—, —NR 1 —, —CO—NR 1 —, —NR 1 —CO—, —CO—O—NR 1 —, —O—CO—NR 1 —, and —NR 1 —CO—NR 1 —, and R 1 is a hydrogen atom or an optionally substituted, linear or branched C 1 to C 6 aliphatic group.

  本发明提供了一种具有优异粘附性和优异机械强度的自粘合复合树脂。本发明涉及一种自粘合牙科复合树脂，包含：不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）；含酸基的（甲基）丙烯酸聚合单体（b）；疏水性交联聚合单体（c）；光聚合引发剂（d）；和填料（e）。不对称的丙烯酰胺-甲基丙烯酸酯化合物（a）由以下通式（1）表示：其中X是可选取代的线性或支链的C1至C6脂肪族基团或可选取代的芳香族基团，脂肪族基团可由以下组成的至少一种连接基团中断：—O—、—S—、—CO—、—CO—O—、—O—CO—、—NR1—、—CO—NR1—、—NR1—CO—、—CO—O—NR1—、—O—CO—NR1—和—NR1—CO—NR1—，R1为氢原子或可选取代的线性或支链的C1至C6脂肪族基团。
• Enantioselective Synthesis of Polysubstituted Benzopyrano[3,4-<i>c</i>]pyrrolidine Frameworks via [3 + 2] Cycloaddition of Azomethine Ylides and Coumarin Derivatives
  作者：Geng-Hua Chang、Chein-Yi Wang、G. Madhusudhan Reddy、Yi-Ling Tsai、Wenwei Lin

  DOI：10.1021/acs.joc.6b02041

  日期：2016.10.21

  benzopyrano[3,4-c]pyrrolidine derivatives via organocatalyzed [3 + 2] cycloaddition has been achieved. Cinchona alkaloid-derived organocatalysts as Brønsted bases have been examined for this asymmetric cycloaddition of o-hydroxy aromatic aldimines with 3-substituted coumarins. An unexpected rearrangement of the quaternary acyl moiety in the products resulted in an in situ protection of the o-hydroxy group.

  通过有机催化的[3 + 2]环加成反应实现了对苯并吡喃并[3,4- c ]吡咯烷衍生物的对映选择性合成。已经检查了金鸡纳生物碱衍生的有机催化剂作为布朗斯台德碱，该邻位羟基芳族醛亚胺与3-取代的香豆素的不对称环加成反应。产物中季酰基部分的意外重排导致原位保护邻羟基。
• Syntheses of furo[3,4-c]coumarins and related furyl coumarin derivatives via intramolecular Wittig reactions
  作者：Yeong-Jiunn Jang、Siang-en Syu、Yu-Jhang Chen、Mei-Chun Yang、Wenwei Lin

  DOI：10.1039/c1ob06571h

  日期：——

  A new and general strategy for highly functional furo[3,4-c]coumarins and related furyl coumarin derivatives has been developed, which is based on an extraordinarily facile intramolecular Wittig reaction, starting from α,β-unsaturated ketones, tributylphosphine, and acyl chlorides. The phosphorus ylides were proposed to be the key intermediates for constructing the crucial furan ring, leading to a

  已经开发了一种新的，通用的功能性呋喃[3,4- c ]香豆素和相关呋喃香豆香豆素衍生物的新策略，该策略基于从α，β-不饱和酮开始的极其容易的分子内Wittig反应，三丁基膦和酰氯。有人提出磷化磷是构成关键呋喃环的关键中间体，一步就可以制得各种各样的呋喃香豆素。