4-(二甲氨基)二苯甲酰甲烷 | 19743-33-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 4-(二甲氨基)二苯甲酰甲烷
• 英文名称: Dimethylamino-dibenzoylmethan
• 英文别名: 4-(dimethylamino)dibenzoylmethane；1‑[4‑(dimethylamino)phenyl]‑3‑phenyl‑1,3‑propanedione；1-(4-Dimethylamino-phenyl)-3-phenyl-propandion-(1.3)；1-(4-dimethylamino-phenyl)-3-phenyl-propane-1,3-dione；1-(4-Dimethylamino-phenyl)-3-phenyl-propan-1,3-dion；4-Dimethylamino-dibenzoylmethan；1-[4-(dimethylamino)phenyl]-3-phenylpropane-1,3-dione
• CAS: 19743-33-0
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: OBQQSFXCIWVKNW-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C (decomp)
• 沸点：
  450.8±30.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(二甲氨基)二苯甲酰甲烷 在 盐酸羟胺 作用下， 以 甲醇 为溶剂， 生成 N,N-dimethyl-4-(5-phenylisoxazol-3-yl)benzenamine
  参考文献：
  名称：

  Rao,K.S.R.K.M.; Rao,N.V.S., Indian Journal of Chemistry, 1968, vol. 6, p. 66 - 68

  摘要：

  DOI：
• 作为产物：
  描述：

  4-二甲氨基苯甲酸甲酯 、 苯乙酮 生成 4-(二甲氨基)二苯甲酰甲烷
  参考文献：
  名称：

  Theilacker; Rosewicz, Chemische Berichte, 1953, vol. 86, p. 1263,1270

  摘要：

  DOI：

文献信息

• Iron‐Catalyzed Synthesis of Substituted Thiazoles from Enamines and Elemental Sulfur through C−S Bond Formation
  作者：Mingzhong Wu、Yong Jiang、Zhenyu An、Zhenjie Qi、Rulong Yan

  DOI：10.1002/adsc.201800693

  日期：2018.11.5

  An atom economical approach for the synthesis of substituted thiazoles starting from enamines and elemental sulfur through the C−H functionalization/C−S bond formation is described. Under the optimized conditions, various substituted enamines reacted smoothly with elemental sulfur and the desired substituted thiazoles were generated in moderate to excellent yields.

  描述了一种原子经济的方法，用于从烯胺和元素硫开始通过CH官能化/ CS键的形成来合成取代的噻唑。在优化的条件下，各种取代的烯胺与元素硫顺利反应，并以中等至极好的收率生成了所需的取代的噻唑。
• Phosphorescent platinum(ii) complexes containing different β-diketonate ligands: synthesis, tunable excited-state properties, and their application in bioimaging
  作者：Xin Mou、Yongquan Wu、Shujuan Liu、Mei Shi、Xiangmei Liu、Chuanming Wang、Shi Sun、Qiang Zhao、Xinhui Zhou、Wei Huang

  DOI：10.1039/c1jm10718f

  日期：——

  A series of square-planar Pt(II) complexes [Pt(C^N)(O^O)] (1–5) (C^N = 2-phenylpyridine, O^O denotes a series of β-diketonate ligands) is reported. Detailed studies of theoretical calculations, electrochemical and photophysical properties have shown that their excited states can be attributed to the mixing of 3MLCT, 3LLCT and 3LC/3ILCT transitions. For 1, the excited state is dominated by the C^N ligand. The excited states of complexes 2–5, however, are dominated by O^O ligands. Through variation of the β-diketonate ligands, the emission colors of 1–5 can be tuned from blue-green to yellow. Further investigations have revealed that the emission of 4 in the solid state can be attributed to the 3MLCT and 3LLL'CT transitions, which has been confirmed by X-ray diffraction studies as well as theoretical calculations. Moreover, exclusive staining of cytoplasm and low cytotoxicity have been observed for 1–4, which makes them promising candidates as phosphorescent probes for bioimaging.

  报道了一系列平面方形的Pt(II)复合物[Pt(C^N)(O^O)] (1–5)（C^N = 2-苯基吡啶，O^O表示一系列β-二酮配体）。详细的理论计算、电化学和光物理特性研究表明，它们的激发态可以归因于3MLCT、3LLCT和3LC/3ILCT跃迁的混合。对于化合物1，激发态主要由C^N配体主导。然而，化合物2–5的激发态则主要由O^O配体主导。通过改变β-二酮配体，可以调节1–5的发射颜色，从蓝绿色到黄色。进一步的研究表明，化合物4在固态下的发射可以归因于3MLCT和3LLL'CT跃迁，这已通过X射线衍射研究和理论计算得到了确认。此外，1–4在细胞质中独占性染色且具有低细胞毒性，这使得它们成为生物成像的有前景的磷光探针候选物。
• A simple approach to aggregation-induced emission in difluoroboron dibenzoylmethane derivatives
  作者：Junyi Hu、Zhen He、Zhi Wang、Xiaoyu Li、Jingsong You、Ge Gao

  DOI：10.1016/j.tetlet.2013.05.099

  日期：2013.8

  The first example of an AIE active BF(2)dbm derivative with a single dimethylamino group connecting to the phenyl ring was revealed. It also showed capability of sensing HCI gas both in solution and in the solid state. (C) 2013 Elsevier Ltd. All rights reserved.
• Electronic effects in the reaction of 1,3-diaryl-1,3-diketones with hydrazinopyridines
  作者：Nathan C. Duncan、Charles M. Garner、Tim Nguyen、Fernando Hung、Kevin Klausmeyer

  DOI：10.1016/j.tetlet.2008.07.104

  日期：2008.9

  The regioselectivity of the condensation of electronically unsymmetrical 1,3-diaryl- 1,3-diketones with 2-hydrazinopyridine and 2,6-bis-hydrazinopyridine to form N-(2-pyridyl)-3,5-diarylpyrazoles was studied. Significant electronic effects on regioselectivities were observed, and regioselectivities were opposite to those exhibited by perfluoroalkyl/alkyl 1,3-diketones. The electronic effects correlate well to the difference between the Hammett sigma(+) coefficients of the para substituents on the aryl rings. (C) 2008 Elsevier Ltd. All rights reserved.
• STRETCHED OPTICAL COMPENSATION FILM
  申请人：ADEKA CORPORATION

  公开号：US20140319436A1

  公开（公告）日：2014-10-30

  The present invention provides a stretched optical compensation film which is a phase difference film comprising a cellulose-based resin and having excellent optical properties. The stretched optical compensation film of the present invention comprises 0.5 to 30 parts by mass of β-diketone compound represented by the following Formula (I) with respect to 100 parts by mass of the cellulose-based resin: (wherein, R 1 and R 2 each independently represent an alkyl group having 1 to 20 carbon atoms which is optionally substituted, an arylalkyl group having 7 to 20 carbon atoms which is optionally substituted or an aryl group having 6 to 20 carbon atoms which is optionally substituted; and R 3 represents a hydrogen atom or an alkyl group having 1 to 10 carbon atoms).