N¹,N¹,N³,N³,5-pentamethylbenzene-1,3-diamine | 21711-62-6

• 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: N¹,N¹,N³,N³,5-pentamethylbenzene-1,3-diamine
• 英文别名: 3,5-bis(dimethylamino) toluene；3,5-Bis-dimethylamino-toluol；1-N,1-N,3-N,3-N,5-pentamethylbenzene-1,3-diamine
• CAS: 21711-62-6
• 化学式: C₁₁H₁₈N₂
• 分子量: 178.277
• InChiKey: FJVCNGPTUXCDRT-UHFFFAOYSA-N

物化性质

• 沸点：
  65 °C(Press: 0.05 Torr)
• 密度：
  0.981±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-(N,N,N',N'-tetramethyl)diamino ethyl benzoate 在 lithium aluminium tetrahydride 、 三乙胺 、 nickel dichloride 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 mineral oil 为溶剂， 反应 2.16h， 生成 N¹,N¹,N³,N³,5-pentamethylbenzene-1,3-diamine
  参考文献：
  名称：

  Photochemical Heterolysis of 3,5-Bis(dimethylamino)benzyl Alcohols and Esters: Generation of a Benzyl Cation with a Low-Energy Triplet State

  摘要：

  An earlier computational study (CASPT2/pVDZ) by Winter et al. predicts the 3,5-bis(dimethylamino)benzyl cation to have nearly degenerate singlet and triplet states. Through product studies it is demonstrated that photolysis of 3,5-bis(dimethylamino)benzyl alcohol and its corresponding acetate and phenylacetate esters in alcoholic solvents produces a solvent incorporated adduct, 3,5-bis(dimethylamino)benzyl ethers, and 3,5-bis(dimethylamino)toluene.

  DOI：

  10.1021/ol102606m

文献信息

• Reactions of enaminones and related compounds with N,N-dimethylacetamide dimethyl acetal. A simple one-pot metal-free synthesis of polysubstituted benzene derivatives
  作者：Benjamin Prek、Jure Bezenšek、Marta Kasunič、Uroš Grošelj、Jurij Svete、Branko Stanovnik

  DOI：10.1016/j.tet.2014.02.039

  日期：2014.4

  Herein a simple one-pot metal-free synthesis of alkyl-, aryl-, heteroaryl- and alkoxycarbonyl substituted 1,3-bis(dimethylamino)benzene derivatives is described. The products were prepared from the corresponding methyl ketones or compounds with an α-methylene group in regard to the carbonyl group, using N,N-dimethylacetamide dimethyl acetal (DMADMA) as the reagent.

  在此，描述了烷基，芳基，杂芳基和烷氧羰基取代的1，3-双（二甲基氨基）苯衍生物的简单的无一锅无金属的合成。使用N，N-二甲基乙酰胺二甲基乙缩醛（DMADMA），由相应的甲基酮或相对于羰基具有α-亚甲基的化合物制备产物。
• Anti-HIV pyrazole derivatives
  申请人：——

  公开号：US20030018197A1

  公开（公告）日：2003-01-23

  The present invention comprises novel and known pyrazole derivatives having anti-HIV activity, a process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds of formula I are inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. Consequently the compounds of this invention may be advantageously used as therapeutic agents for HIV infection.

  本发明涵盖具有抗HIV活性的新型和已知吡唑衍生物，其制造方法，药用组合物以及在医学中使用此类化合物。特别是，式I的化合物是人类免疫缺陷病毒逆转录酶酶的抑制剂，该酶参与病毒复制。因此，本发明的这些化合物可优势用作HIV感染的治疗药物。
• ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE
  申请人：Samsung Display Co., Ltd.

  公开号：US20200098991A1

  公开（公告）日：2020-03-26

  Provided are an organic light-emitting device including a first electrode; a second electrode facing the first electrode; and an organic layer between the first electrode and the second electrode and including an emission layer, wherein the emission layer may include at least one condensed cyclic compound represented by Formula 1 and emit light in a near-infrared (NIR) region having a maximum emission wavelength of 680 nanometers (nm) or greater:

  提供了一种有机发光器件，包括第一电极；朝向第一电极的第二电极；以及位于第一电极和第二电极之间的有机层，其中发射层可能包括至少一种由式1表示的紧缩环状化合物，并在近红外（NIR）区域发射波长最大为680纳米（nm）或更大的光：
• ?-Polycarbonylverbindunge, 5. Mitt.: 1,3-Diaminobenzole durch Acylierung von Di-enaminen
  作者：A. Hochrainer、S. Hellweger、W. Silhan、Ulrich Schmidt

  DOI：10.1007/bf01154327

  日期：——
• PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1326843A1

  公开（公告）日：2003-07-16