7-diethylamino-3,3'-carbonylbiscoumarin | 83179-57-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-diethylamino-3,3'-carbonylbiscoumarin
• 英文别名: 3,3'-dicarbonyl-7-(diethylamino)biscoumarin；7-(Diethylamino)-3-(2-oxochromene-3-carbonyl)chromen-2-one
• CAS: 83179-57-1
• 化学式: C₂₃H₁₉NO₅
• 分子量: 389.408
• InChiKey: JCTAPDOHBVAOHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 3-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-3-oxopropanoate 、 水杨醛 、 哌啶 生成 7-diethylamino-3,3'-carbonylbiscoumarin
  参考文献：
  名称：

  SPECHT, D. P.;MARTIC, P. A.;FARID, S., TETRAHEDRON, 1982, 38, N 9, 1203-1211

  摘要：

  DOI：

文献信息

• Ketocoumarins
  作者：Dnolad P. Specht、Peter A. Martic、Samir Farid

  DOI：10.1016/0040-4020(82)85104-1

  日期：1982.1

  asymmetrically substituted derivatives of 2, but seems to be considerably suppressed in polymeric matrices. The triplet energies of these compounds range from ca. 48 to 60 kcal/mol. Some of these ketocoumarins show phosphorescence spectra that suggest the presence of “frozen-in” rotamers.

  制备了3-酮香豆素的几种衍生物，并显示它们具有有效三重态敏化剂所需的许多光物理标准。这些化合物包括3-芳酰基香豆素（1）和3，3'-羰基双香豆素（2）。1中的芳基是苯基和取代的苯基衍生物或杂环基，例如噻吩基和苯并呋喃基。1和2中香豆素部分上的取代基（如果有）是烷氧基或二烷基氨基。这些化合物的最大吸收在330至450 nm之间，消光系数在10 4至几乎10 5的范围内。，这是对光敏抗蚀剂和光刻中使用的聚合物薄膜进行有效敏化的重要标准。几个导数的单重态-三重态系统间穿越（isc）效率接近统一。但是，在其他情况下，无辐射衰变过程则与isc竞争。衰减过程是在的不对称取代的衍生物特别优势2，但似乎在聚合物基质可以显着抑制。这些化合物的三线态能量的范围从CA。48至60 kcal / mol。这些酮香豆素中的一些显示出磷光光谱，表明存在“冷冻”旋转异构体。
• ORTHOPEDIC PHOTO-CURABLE FIXING MATERIAL
  申请人：Alcare Co., Ltd.

  公开号：EP1852134A1

  公开（公告）日：2007-11-07

  It is intended to obtain a photocurable fixture for orthopedic surgery for which required strength can be obtained in a short period of time with visible light. A photocurable resin containing a urethane (meth)acrylate oligomer of the following formula (I) and a photopolymerization initiator which absorbs a light of 400 to 700 nm is prepared. This photocurable resin 4 is retained in a base material 3 to form a support material 5. The inside of this support material 5 is covered with a buffer material 6 and the outside is covered with a cover material 2, to obtain a splint material 1 as a fixture for orthopedic surgery. The buffer material 6 side is put on affected parts, and a bandage is wound over it, and then molding is carried out under irradiation with visible light. As the curing proceeds, a splint is obtained and the affected parts can be fixed. (in the formula (I), A denotes a diisocyanate residue, and each of X and Y denotes a (meth)acrylate residue having a hydroxy group.)

  本发明的目的是获得一种光固化夹具，用于骨科手术，这种夹具可以在短时间内用可见光获得所需的强度。 本发明制备了一种光固化树脂，该树脂含有下式（I）的聚氨酯（甲基）丙烯酸酯低聚物和一种可吸收 400 至 700 纳米光的光聚合引发剂。这种光固化树脂 4 保存在基底材料 3 中，形成支撑材料 5。在支撑材料 5 的内侧覆盖缓冲材料 6，外侧覆盖覆盖材料 2，从而得到骨科手术夹板材料 1。将缓冲材料 6 的一侧放在受影响的部位，并在其上缠绕绷带，然后在可见光照射下进行成型。随着固化的进行，可获得夹板并固定受影响的部位。式（I）中，A 表示二异氰酸酯残基，X 和 Y 分别表示具有羟基的（甲基）丙烯酸酯残基）。
• CHANDRASEKHAR, ANJANA;PADMANABHAN, S.;SESHADRI, S., DYES AND PIGM., 1986, 7, N 1, 13-21
  作者：CHANDRASEKHAR, ANJANA、PADMANABHAN, S.、SESHADRI, S.

  DOI：——

  日期：——
• EP1852134B1
  申请人：——

  公开号：EP1852134B1

  公开（公告）日：2015-04-01
• Photocurable Fixture for Orthopedic Surgery
  申请人：Nakasugi Nobuyasu

  公开号：US20080045622A1

  公开（公告）日：2008-02-21

  It is intended to obtain a photocurable fixture for orthopedic surgery for which required strength can be obtained in a short period of time with visible light. A photocurable resin containing a urethane (meth)acrylate oligomer of the following formula (I) and a photopolymerization initiator which absorbs a light of 400 to 700 nm is prepared. This photocurable resin 4 is retained in a base material 3 to form a support material 5 . The inside of this support material 5 is covered with a buffer material 6 and the outside is covered with a cover material 2 , to obtain a splint material 1 as a fixture for orthopedic surgery. The buffer material 6 side is put on affected parts, and a bandage is wound over it, and then molding is carried out under irradiation with visible light. As the curing proceeds, a splint is obtained and the affected parts can be fixed. (in the formula (I), A denotes a diisocyanate residue, and each of X and Y denotes a (meth)acrylate residue having a hydroxy group.)