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3-(4-nitrobenzoyl)-2H-chromen-2-one | 64267-14-7

中文名称
——
中文别名
——
英文名称
3-(4-nitrobenzoyl)-2H-chromen-2-one
英文别名
4-nitrobenzoylcoumarin;3-(p-nitrobenzoyl)coumarin;3-(4-nitrobenzoyl)chromen-2-one
3-(4-nitrobenzoyl)-2H-chromen-2-one化学式
CAS
64267-14-7
化学式
C16H9NO5
mdl
——
分子量
295.251
InChiKey
UZHUWERFNUBSKH-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    543.6±50.0 °C(Predicted)
  • 密度:
    1.447±0.06 g/cm3(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-(4-nitrobenzoyl)-2H-chromen-2-one2-氧代-2,5-二氢-吡咯-1-羧酸叔丁酯三乙烯二胺 作用下, 以 四氢呋喃 为溶剂, 反应 3.0h, 以83%的产率得到tert-butyl 3-(3-(4-nitrobenzoyl)-2-oxochroman-4-yl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
    参考文献:
    名称:
    通过非预期的α,β-不饱和γ-丁内酰胺向香豆素衍生物的非对映选择性合成Rauhut-Currier型加合物的非对映选择性
    摘要:
    为有效合成Rauhut-Currier型加合物,提出了一种新颖的碱催化且高度非对映选择性的直接Michael加成异构序列。观察到在3-酰基香豆素衍生物上意外地将γ-丁内酰胺α-加成,而不是更普遍的γ-加成。加合物可以进一步进行水解/脱羧以产生与通过将γ-丁内酰胺α加成到相应的查耳酮上所获得的产物等同的产物。
    DOI:
    10.1021/acs.joc.6b02526
  • 作为产物:
    描述:
    对硝基苯甲酰醋酸乙酯水杨醛哌啶 作用下, 以 乙腈 为溶剂, 反应 8.0h, 以99%的产率得到3-(4-nitrobenzoyl)-2H-chromen-2-one
    参考文献:
    名称:
    通过非预期的α,β-不饱和γ-丁内酰胺向香豆素衍生物的非对映选择性合成Rauhut-Currier型加合物的非对映选择性
    摘要:
    为有效合成Rauhut-Currier型加合物,提出了一种新颖的碱催化且高度非对映选择性的直接Michael加成异构序列。观察到在3-酰基香豆素衍生物上意外地将γ-丁内酰胺α-加成,而不是更普遍的γ-加成。加合物可以进一步进行水解/脱羧以产生与通过将γ-丁内酰胺α加成到相应的查耳酮上所获得的产物等同的产物。
    DOI:
    10.1021/acs.joc.6b02526
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文献信息

  • SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME
    申请人:KABUSHIKI KAISHA SHOFU
    公开号:US20190300552A1
    公开(公告)日:2019-10-03
    The present invention relate to a novel silane coupling agent and a medical and/or dental curable composition comprising the same. It is an object of the present invention to provide a novel silane coupling agent that imparts high affinity to a radical polymerizable monomer, thereby imparting high mechanical strength, flexibility and durability when used for a medical and/or dental curable composition, and an inorganic filler surface-treated with the novel silane coupling agent and a novel medical and/or dental curable composition. A silane coupling agent including repeating units such as a urethane bond and polyethylene glycol (ether bond) at a specific position is used.
    本发明涉及一种新型硅烷偶联剂以及包括该偶联剂的医用和/或牙科可固化组合物。本发明的目的是提供一种新型硅烷偶联剂,使其对自由基聚合单体具有高亲和力,从而在用于医用和/或牙科可固化组合物时赋予高机械强度、柔韧性和耐久性,并且包括经新型硅烷偶联剂表面处理的无机填料和新型医用和/或牙科可固化组合物。该硅烷偶联剂包括在特定位置具有尿素键和聚乙二醇(醚键)等重复单元。
  • 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。
  • 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。
  • ADHESIVE COMPOSITION FOR DENTAL USE
    申请人:KURARAY NORITAKE DENTAL INC.
    公开号:US20210145701A1
    公开(公告)日:2021-05-20
    The present invention provides a dental adhesive composition that, even after photocuring with a high-output LED irradiator, shows high bond strength not only for dentin untreated by phosphoric acid etching but also for dentin treated by phosphoric acid etching. The present invention relates to a dental adhesive composition comprising a phosphoric acid group-containing polymerizable monomer (A), the phosphoric acid group-containing polymerizable monomer (A) comprising: a dihydrogen phosphate monoester group-containing polymerizable monomer (A-1) represented by general formula (1); a hydrogen phosphate diester group-containing polymerizable monomer (A-2) represented by general formula (2); and a phosphoric acid tetraester group-containing polymerizable monomer (A-3) represented by general formula (3).
    本发明提供了一种牙科粘接剂组合物,即使经过高输出LED辐射器的光固化,也能显示出高的粘接强度,不仅适用于未经过磷酸蚀刻处理的牙本质,还适用于经过磷酸蚀刻处理的牙本质。本发明涉及一种牙科粘接剂组合物,包括含磷酸基可聚合单体(A),其中磷酸基可聚合单体(A)包括:一种由通式(1)表示的二氢磷酸单酯基可聚合单体(A-1);一种由通式(2)表示的氢磷酸双酯基可聚合单体(A-2);以及一种由通式(3)表示的磷酸四酯基可聚合单体(A-3)。
  • Sensitized photopolymerizable compositions and use thereof in lithographic printing plates
    申请人:EASTMAN KODAK COMPANY
    公开号:EP0730201A1
    公开(公告)日:1996-09-04
    Improved photopolymerization initiator systems are comprised of a spectral sensitizer that sensitizes in the ultraviolet or visible regions of the spectrum and an N-aryl, O-aryl or S-aryl polycarboxylic acid co-initiator. The improved initiator systems are incorporated in photo-polymerizable compositions containing one or more addition-polymerizable ethylenically-unsaturated compounds to form compositions suitable for the preparation of radiation-sensitive layers in lithographic printing plates adapted to be imagewise-exposed with ultraviolet- or visible-light-emitting lasers such as argon-ion lasers and frequency doubled Nd:YAG lasers. Such plates are able to effectively meet the dual requirements of very high photospeed and very good shelf-life required in computer-to-plate systems.
    改进的光聚合引发剂体系由在光谱的紫外线或可见光区域敏化的光谱敏化剂和 N-芳基、O-芳基或 S-芳基聚羧酸共引发剂组成。改进后的引发剂体系与含有一种或多种可加成聚合的乙烯基不饱和化合物的光聚合组合物结合,形成的组合物适用于制备平版印刷板中的辐射敏感层,该板可使用紫外线或可见光发射激光器(如氩离子激光器和倍频 Nd:YAG 激光器)进行图像曝光。这种印版能够有效地满足计算机直接制版系统对极高的光速和极好的保存期限的双重要求。
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