3-[[4-(dimethylamino)phenyl]diazenyl]benzaldehyde | 69321-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 3-[[4-(dimethylamino)phenyl]diazenyl]benzaldehyde
• CAS: 69321-17-1
• 化学式: C₁₅H₁₅N₃O
• 分子量: 253.304
• InChiKey: NBNCAYZMACDXDT-WUKNDPDISA-N

物化性质

• 沸点：
  396.5°C (rough estimate)
• 密度：
  1.0966 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  45.03
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N,N-二甲基苯胺 、 3-氨基苯甲醛 在 氯化亚砜 作用下， 以 苯 为溶剂， 以51%的产率得到3-[[4-(dimethylamino)phenyl]diazenyl]benzaldehyde
  参考文献：
  名称：

  Carcinogenic azo dyes. XVIII. Syntheses of azo dyes related to 3'-hydroxymethyl-4-(dimethylamino)azobenzene, a new potent hepatocarcinogen.

  摘要：

  合成了与3'-羟甲基-4-(二甲氨基)偶氮苯结构相关的20种偶氮苯衍生物，旨在研究其诱变和致癌效应。它们是3'-甲基-DAB的氧化产物、对称取代的偶氮化合物、它们的乙酰或氯衍生物及其异构体。4-(二甲氨基)偶氮苯是通过相应的重氮盐与N,N-二甲基苯胺反应制备的，而偶氮苯则通过相应的硝基苯在氢氧化钠介质中用氢化铝锂或锌还原得到。给出了这些化合物的物理特性（熔点、元素分析、红外、紫外和质谱数据）。

  DOI：

  10.1248/cpb.29.1439

文献信息

• MORI, YUKIO;NIWA, TOSHIRO;TOYOSHI, KAZUMI, CHEM. AND PHARM. BULL., 1981, 29, N 5, 1439-1442
  作者：MORI, YUKIO、NIWA, TOSHIRO、TOYOSHI, KAZUMI

  DOI：——

  日期：——
• SMALL MOLECULE SCREENING CELLULAR ASSAY USING MODIFIED BEADS
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20220213471A1

  公开（公告）日：2022-07-07

  A method for screening a DNA-encoded library of chemical structures ( 2 ) for activity in a cellular target ( 11 ) wherein the chemical structures ( 2 ) of the library, the corresponding encoding DNA ( 4 ) and, optionally, a chemical probe ( 7/8/9 ) susceptible to the response molecule ( 12 ) are covalently linked to beads ( 1 ); the method comprising providing an incubation medium ( 13 ) or aliquot thereof comprising the cellular target ( 11 ) and exactly one or more than one bead ( 1 ) as defined above, releasing the chemical structures ( 2 ) from the bead(s) ( 1 ) in the incubation medium ( 13 ) or aliquots thereof by cleaving the structure linkers ( 3 ) and incubating the released chemical structures ( 2 ) and the cellular target ( 11 ); and sequencing the encoding DNA present or remaining on the bead(s) ( 1 ). A bead ( 1 ) suited for the method is also provided.
• Carcinogenic azo dyes. XVIII. Syntheses of azo dyes related to 3'-hydroxymethyl-4-(dimethylamino)azobenzene, a new potent hepatocarcinogen.
  作者：YUKIO MORI、TOSHIRO NIWA、KAZUMI TOYOSHI

  DOI：10.1248/cpb.29.1439

  日期：——

  Twenty azobenzene derivatives structurally related to 3'-hydroxymethyl-4-(dimethylamino) azobenzene (3'-CH2OH-DAB) were synthesized for the purpose of investigating their mutagenic and carcinogenic effects. They are oxidation products of 3'-Me-DAB, symmetrically substituted azo compounds, their acetyl or chloro derivatives, and their isomers. The 4-(dimethylamino) azobenzenes were prepared by coupling of the corresponding diazonium salts with N, N-dimethylaniline and the azobenzenes by reduction of the corresponding nitrobenzenes with lithium aluminum hydride or zinc in a sodium hydroxide medium. Physical characteristics of these compounds (melting point, elemental analysis, and infrared, ultraviolet, and mass spectral data) are given.

  合成了与3'-羟甲基-4-(二甲氨基)偶氮苯结构相关的20种偶氮苯衍生物，旨在研究其诱变和致癌效应。它们是3'-甲基-DAB的氧化产物、对称取代的偶氮化合物、它们的乙酰或氯衍生物及其异构体。4-(二甲氨基)偶氮苯是通过相应的重氮盐与N,N-二甲基苯胺反应制备的，而偶氮苯则通过相应的硝基苯在氢氧化钠介质中用氢化铝锂或锌还原得到。给出了这些化合物的物理特性（熔点、元素分析、红外、紫外和质谱数据）。