2-(N-isopropylamino)-1,3-dimethylbenzene | 61685-01-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(N-isopropylamino)-1,3-dimethylbenzene
• 英文别名: 2,6-dimethyl-N-(propan-2-yl)aniline；N-isopropyl-2,6-dimethylaniline；Isopropyl-(2,6-dimethylphenyl)-amin；2,6-dimethyl-N-propan-2-ylaniline
• CAS: 61685-01-6
• 化学式: C₁₁H₁₇N
• 分子量: 163.263
• InChiKey: CDUXPHQHKRTPJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 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：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(N-isopropylamino)-1,3-dimethylbenzene 在 劳森试剂 作用下， 以 甲苯 为溶剂， 生成 N-isopropyl-2,6-dimethylthioformanilide
  参考文献：
  名称：

  Pettersson,Ingrid; Sandstroem, Jan, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1984, vol. 38, # 5, p. 397 - 406

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2,6-dimethylphenyl)-5,5-dimethyl-1,3,2-dioxaborinane 、 O-benzoyl N-isopropylhydroxylamine 在 copper(I) trifluoromethanesulfonate benzene 、 cesium fluoride 、 双(二环己基膦基苯基)醚 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以90%的产率得到2-(N-isopropylamino)-1,3-dimethylbenzene
  参考文献：
  名称：

  实用的催化合成位阻苯胺的方法。

  摘要：

  描述了一种合成位阻苯胺的实用催化方法。芳基和杂芳基硼酸酯的胺化反应是使用从... ...原位制备的催化剂完成的。

  DOI：

  10.1039/c5cc03565a

文献信息

• Catalytic reductive N-alkylation of anilines. Application to the synthesis of N-aryl aminoacid precursors
  作者：Fabienne Fache、Frédéric Valot、Alexandra Milenkovic、Marc Lemaire

  DOI：10.1016/0040-4020(96)00503-0

  日期：1996.7

  different anilines have been monoalkylated by reductive alkylation using ketones and α-ketoesters as alkylating agents with good isolated yields. This provided access to aminoacid derivatives. Diastereoselective experiments were also performed.

  使用酮和α-酮酸酯作为烷基化剂，通过还原烷基化将不同的苯胺单烷基化，分离收率很好。这提供了获得氨基酸衍生物的途径。还进行了非对映选择性实验。
• MESOIONIC IMIDAZOPYRIDINES AS INSECTICIDES
  申请人：BAYER AKTIENGESELLSCHAFT

  公开号：US20200146292A1

  公开（公告）日：2020-05-14

  Provided are compounds of the formula (I) which are suitable for controlling animal pests, including arthropods and in particular insects, arachnids and nematodes, and in which the structural elements R 1 , p, T and G have the meanings given in the description, as are processes for their preparation and their use as insecticides.

  提供了符合化合物的公式(I)，适用于控制动物害虫，包括节肢动物，特别是昆虫、蛛形动物和线虫，其中结构元素R1、p、T和G的含义如描述所示，以及它们的制备过程和用作杀虫剂的用途。
• Spiropyrrolidine derived antiviral agents
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US11339170B1

  公开（公告）日：2022-05-24

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, thereof: which inhibit coronavirus replication activity. The invention further relates to pharmaceutical compositions comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof, and methods of treating or preventing a coronavirus infection in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof.

  本发明揭示了式（I）的化合物及其药学上可接受的盐：可抑制冠状病毒复制活性。本发明还涉及包含式（I）的化合物或其药学上可接受的盐的制药组合物，以及治疗或预防受冠状病毒感染的患者的方法，包括向患者施用式（I）的化合物或其药学上可接受的盐的治疗有效量。
• 1,3-Diaryl-2-imino-imidazolidines and compounds
  申请人：EGYT Gyogyszervegyeszeti Gyar

  公开号：US04369325A1

  公开（公告）日：1983-01-18

  A compound of the general formula (I), ##STR1## is described wherein R.sup.1 and R.sup.5 each represent a phenyl group optionally substituted with 1 to 3 lower alkoxy, halo, lower alkyl, monohalo-(lower)-alkyl, dihalo-(lower)-alkyl and/or trihalo-(lower)-alkyl groups, R.sup.2 stands for hydrogen or a lower alkyl group optionally substituted with a hydroxy group or 1 to 3 halogen atoms, R.sup.3 and R.sup.4 each represent a hydrogen atom or a lower alkyl group, and R.sup.6 stands for a carbamoyl, thiocarbamoyl or amidino group having optionally one or two lower alkyl and/or lower alkoxycarbonyl substitutes, or a group of the general formula R.sup.7 -CO-wherein R.sup.7 stands for a lower analkoxy group, an aryloxy group, or an aralkoxy group, and n is equal to 0, provided that when R.sup.1 and R.sup.5 each represent a phenyl group, R.sup.2 and R.sup.3 may not stand for hydrogen or a pharmaceutically acceptable acid addition salt, a pure isomer or an isomeric mixture thereof. The compounds posses antiphlogistic and diuretic activity.

  描述了一种具有一般式（I）的化合物，其中R.sup.1和R.sup.5分别代表一个苯基，可选地取代1到3个较低的烷氧基，卤素，较低的烷基，单卤代（较低）烷基，双卤代（较低）烷基和/或三卤代（较低）烷基基团，R.sup.2代表氢或一个较低的烷基，可选地取代一个羟基或1到3个卤素原子，R.sup.3和R.sup.4分别代表氢原子或较低的烷基，R.sup.6代表一个氨基甲酰基，硫脲基或氨基甲酸基，其中具有可选的一个或两个较低的烷基和/或较低的烷氧羰基取代，或者具有一般式R.sup.7-CO-的基团，其中R.sup.7代表一个较低的烷氧基，芳基氧基，或芳基烷氧基，n等于0，但当R.sup.1和R.sup.5各自代表苯基时，R.sup.2和R.sup.3不能代表氢原子或一种药学上可接受的酸加成盐，纯异构体或异构体混合物。这些化合物具有抗炎和利尿作用。
• Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use
  申请人：Sun Aiming

  公开号：US20110281908A1

  公开（公告）日：2011-11-17

  Novel classes of molecular chaperone Heat shock protein 90 (Hsp90) inhibitors and methods for making these classes are provided herein. These compounds are useful in treating and preventing cancer and other Hsp90-related diseases, such as inflammation and neurodegenerative disorders. Also provided herein are methods of treating and preventing cancer and other Hsp90 related disease. The methods include administering to a subject a therapeutically effective amount of an Hsp90 inhibitor.

  本文提供了新型分子伴侣热休克蛋白90（Hsp90）抑制剂的类别和制备方法。这些化合物可用于治疗和预防癌症和其他与Hsp90相关的疾病，如炎症和神经退行性疾病。本文还提供了治疗和预防癌症和其他Hsp90相关疾病的方法。该方法包括向患者施用治疗有效量的Hsp90抑制剂。