N,N'-dimethyl-N,N'-diphenyl-1,3-benzenedicarboxamide | 38636-33-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-dimethyl-N,N'-diphenyl-1,3-benzenedicarboxamide
• 英文别名: N,N'-Dimethyl-N,N'-diphenyl-isophthalamide；1-N,3-N-dimethyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
• CAS: 38636-33-8
• 化学式: C₂₂H₂₀N₂O₂
• mdl: MFCD01115665
• 分子量: 344.413
• InChiKey: XDWAFJDXCQHXTH-UHFFFAOYSA-N

物化性质

• 沸点：
  537.8±46.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  isophthalic acid dianilide 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N,N'-dimethyl-N,N'-diphenyl-1,3-benzenedicarboxamide
  参考文献：
  名称：

  扩展和折叠的单-、二-和三-N-芳基苯甲酰胺的结构和激发态†

  摘要：

  研究了 18 N-芳基苯甲酰胺的分子结构与电子性质之间的关系。仲酰胺采用扩展的反式酰胺构象，而叔酰胺采用折叠的顺式酰胺构象，其中N-芳基大致垂直于苯甲酰基。叔二酰胺和三酰胺的 N-芳基占据苯甲酰基的同一面并显示出边对面的芳基-芳基相互作用。随着 N-芳基数量的增加，仲酰胺的长波长吸收最大值红移，而叔酰胺显示蓝移。ZINDO 计算有助于分配吸收和发光光谱。在所有情况下，最低能量单重态被分配给禁止的 n，B*（羰基孤对到苯甲酰基）跃迁。二级和三级酰胺的无结构荧光分别归属于平面和扭曲的 n,B* 单峰。允许的吸收带分配给 A,B*（芳烃到苯甲酰基）或 A,A*（芳烃到芳烃）跃迁，它们位于单个芳烃上，结构化磷光分配给 A,A*三重态。

  DOI：

  10.1021/jp0264937

文献信息

• Cellulose Compound Film, Optical Compensation Sheet, Polarizing Plate, and Liquid Crystal Display Device
  申请人：Nozoe Yutaka

  公开号：US20070259134A1

  公开（公告）日：2007-11-08

  A cellulose compound film containing a cellulose compound having two or more substituents whose polarizability anisotropies Δα calculated by mathematical formula (1) are different from each other, wherein substitution degrees of the following substituents A and B in the cellulose compound satisfy relationship as defined by mathematical formula (A1), in which the substituent A has the lowest Δα and the substituent B has the highest Δα: Δ ⁢ ⁢ α = α ⁢ ⁢ x - α ⁢ ⁢ y + α ⁢ ⁢ z 2 Mathematical ⁢ ⁢ formula ⁢ ⁢ ( 1 ) wherein, in characteristic values obtained after diagonalization of polarizability tensor, αx is the largest component, αy is the second largest component, and αz is the smallest component; DS B 2+ DS B 3− DS B 6≧−0.1   Mathematical formula (A1) wherein DS B 2, DS B 3, and DS B 6 represent a substitution degree of the substituent B at the 2-, 3-, or 6-position of a β-glucose ring constituting unit of cellulose, respectively; and an optical compensation film, a polarizing plate, and a liquid crystal display device, using the cellulose compound film.

  一种纤维素化合物薄膜，其含有具有两个或更多取代基的纤维素化合物，其极化率各向异性Δα通过数学公式（1）计算得出，其中以下取代基A和B的取代度满足数学公式（A1）所定义的关系，其中取代基A具有最低的Δα，而取代基B具有最高的Δα：Δα = αx-αy + αz2数学公式（1）其中，在极化率张量对角化后获得的特征值中，αx是最大分量，αy是第二大分量，αz是最小分量;DSB2 + DSB3-DSB6≥-0.1数学公式（A1）其中DSB2、DSB3和DSB6分别表示取代基B在纤维素构成单位β-葡萄糖环的2-、3-或6-位置的取代度;以及使用该纤维素化合物薄膜的光学补偿膜、偏光板和液晶显示装置。
• Cellulose Acylate Film, Method of Producing the Same, Cellulose Derivative Film, Optically Compensatory Film Using the Same, Optically-Compensatory Film Incorporating Polarizing Plate, Polarizing Plate and Liquid Crystal Display Device
  申请人：Haruta Hiromoto

  公开号：US20090290100A1

  公开（公告）日：2009-11-26

  A method of producing a cellulose derivative film, the method comprising: forming a film with a solvent cast method from a dope including a cellulose derivative satisfying following conditions (a) and (b): (a) at least one among three hydroxyl groups included in a glucose unit of cellulose is substituted by a substituent of which a polarizability anisotropy Δα represented as following Expression (1) is 2.5×10 −24 cm 3 or higher: Expression (1): Δα=αx−(αy+αz)/2, wherein αx, αy and αz is as defined in the specification; and (b) when a substitution degree by a substituent of which Δα is 2.5×10 −24 cm 3 or higher is P A , and a substitution degree by a substituent of which Δα is lower than 2.5×10 −24 cm 3 is P B , the P A and P B satisfy following Expressions (3) and (4): Expression (3): 2P A +P B >3.0; and Expression (4): P A >0.2.

  一种生产纤维素衍生物薄膜的方法，该方法包括：使用包括满足以下条件（a）和（b）的纤维素衍生物的溶胶，通过溶剂浇铸法形成薄膜：（a）纤维素的葡萄糖单元中的三个羟基中的至少一个被取代为极化率各向异性Δα（以下表达式（1）表示）为2.5×10-24cm3或更高的取代基：表达式（1）：Δα=αx-（αy+αz）/ 2，其中αx，αy和αz如规范中定义的；并且（b）当Δα为2.5×10-24cm3或更高的取代基的取代度为PA时，Δα低于2.5×10-24cm3的取代基的取代度为PB，PA和PB满足以下表达式（3）和（4）：表达式（3）：2PA + PB> 3.0；表达式（4）：PA> 0.2。
• Horner,L.; Weissbach,R., Justus Liebigs Annalen der Chemie, 1972, vol. 757, p. 69 - 74
  作者：Horner,L.、Weissbach,R.

  DOI：——

  日期：——
• Stereochemistries of aromatic N-methylamides in crystal and solution. Temperature-dependent conformational conversion and attracting aromatic-aromatic interactions
  作者：Isao Azumaya、Hiroyuki Kagechika、Kentaro Yamaguchi、Koichi Shudo

  DOI：10.1016/0040-4020(95)00203-k

  日期：1995.5

  Crystal structures and dynamic behavior in solution of some aromatic N-methylanilides were analyzed. Every N-methylamide examined was in cis form in the crystal, and exhibited cis-preference in solution. Among them, meta-substituted amides, such as N,N',N''-trimethyl-N,N',N''-triphenyl-1,3,5-benzenetricarboxamide (5), exist in the all-syn conformation, in which all the N-phenyl groups are on the same side of the plane of the central benzene ring in the crystal. H-1-NMR studies suggested that 5 existed mainly in all-syn conformation at low temperature as found in the crystal, while the anti conformation, in which one N-phenyl group is on the opposite side of the central benzene ring, becomes predominant at higher temperature, and a rapid equilibrium exists between the syn and the anti conformations. This is a result of the positive enthalpy (Delta H degrees = + 2.1 kcal/mol) and the identical-signed large entropy (Delta S degrees = + 8.4 cal/mol . K) for the conversion from syn to anti conformation. From NMR experiments, the enthalpy gained by assembly of the three phenyl groups in solution was deduced to be 2.8 kcal/mol.
• Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display
  申请人：Nishiura Yosuke

  公开号：US20070059458A1

  公开（公告）日：2007-03-15

  A cellulose acylate film is provided and satisfies the following relationships (I) and (II). The cellulose acylate film has a residual sulfuric acid content of 0 ppm to 100 ppm and contains a release accelerator in an amount of 10 ppm to 2,000 ppm. 0≦ Re (630)≦10 and | Rth (630)|≦25  (I) | Re (400)− Re (700)|≦10 and | Rth (400)− Rth (700)|≦35  (II) Re(λ) is an in-plane retardation value at a wavelength of λ nm, and Rth(λ) is a thickness-direction retardation value at a wavelength of λ nm.