2-氨基-N-(3,4-二甲基苯基)苯胺 | 102630-81-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-N-(3,4-二甲基苯基)苯胺
• 英文名称: 3',4'-Dimethylanthranilanilide
• 英文别名: 2-amino-N-(3,4-dimethylphenyl)benzamide
• CAS: 102630-81-9
• 化学式: C₁₅H₁₆N₂O
• mdl: MFCD00121517
• 分子量: 240.305
• InChiKey: FYCFCRRBRLVDGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-氨基-N-(3,4-二甲基苯基)苯胺 在 苯胺 作用下， 反应 2.33h， 生成 3-(3,4-Dimethylphenyl)quinazoline-2,4(1H,3H)-dione
  参考文献：
  名称：

  Relationships Between the Chemical Structure of Substances and Their Antimycobacterial Activity Against Atypical Strains. Part 18. 3-Phenyl-2H-1,3-benzoxazine-2,4(3H)-diones and Isosteric 3-Phenylquinazoline-2,4(1H,3H)-diones

  摘要：

  合成了一系列在苯环上取代的3-苯基-2H-1,3-苯并噁嗪-2,4(3H)-二酮2和3-苯基喹唑啉-2,4(1H,3H)-二酮5。目标化合物以及中间体被测试对抗结核分枝杆菌、肯萨斯分枝杆菌和埃维分枝杆菌。氮原子替代氧原子导致抗结核活性下降或丧失。2-[(乙氧羰基)氨基]苯甲酰胺4似乎无活性。水杨酰苯胺1和3-苯基-2H-1,3-苯并噁嗪-2,4(3H)-二酮2对结核分枝杆菌和非结核分枝杆菌表现出显著活性（所有化合物的最小抑制浓度在4-250 μmol/l范围内）。化合物的抗结核活性随着苯基上取代基的电子吸引性和疏水性增加而增加。根据基于向量代数的标准，如余弦系数，分析了化合物的抗结核特性。此外，水杨酰苯胺1对经琼脂扩散法测试的其他微生物也具有活性。

  DOI：

  10.1135/cccc19991902
• 作为产物：
  描述：

  N-(3,4-dimethylphenyl)-2-nitrobenzamide 在 palladium on activated charcoal 氢气 作用下， 反应 3.0h， 以53%的产率得到2-氨基-N-(3,4-二甲基苯基)苯胺
  参考文献：
  名称：

  Anticonvulsant activity of 2- and 3-aminobenzanilides

  摘要：

  A series of 2- and 3-aminobenzanilides derived from ring-alkylated anilines were prepared and evaluated for anticonvulsant activity. These benzanilides were prepared in the course of studies designed to determine the relationship between the benzamide structure and anticonvulsant effects. The compounds were tested in mice against seizures induced by maximal electroshock (MES) and pentylenetetrazole and in the rotorod assay for neurologic deficit. The 3-aminobenzanilide derived from 2,6-dimethylaniline, 21, was the most potent anti-MES compound, with an ED50 of 13.48 mg/kg and a protective index of 21.11 (PI = TD50/ED50). The activity profile for 21 compares favorably with that for phenobarbital and phenytoin.

  DOI：

  10.1021/jm00158a038

文献信息

• Compounds for modulating TRPV3 function
  申请人：Chong A. Jayhong

  公开号：US20070179164A1

  公开（公告）日：2007-08-02

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

  本申请涉及化合物和治疗与TRPV3相关的疼痛和其他病症的方法。
• Transition metal-free synthesis of quinazolinones using dimethyl sulfoxide as a synthon
  作者：Seohoo Lee、Jaeuk Sim、Hyeju Jo、Mayavan Viji、Lanka Srinu、Kiho Lee、Heesoon Lee、Vishwanath Manjunatha、Jae-Kyung Jung

  DOI：10.1039/c9ob01629e

  日期：——

  Biologically important quinazolinones have been synthesized from 2-aminobenzamides and DMSO. The key feature of the reaction is the utilization of DMSO as a methine source for intramolecular oxidative annulation. The CNS depressant drug methaqualone has also been synthesized by our methodology. The present method involves the synthesis of quinazolinones with a broad substrate scope and a good yield

  从2-氨基苯甲酰胺和DMSO合成了生物学上重要的喹唑啉酮。该反应的关键特征是利用DMSO作为次甲基源用于分子内氧化环化。我们的方法还合成了CNS抑制剂药物甲喹酮。本方法涉及具有宽底物范围和良好收率的喹唑啉酮的合成。
• α-Hydroxy acid as an aldehyde surrogate: metal-free synthesis of pyrrolo[1,2-<i>a</i>]quinoxalines, quinazolinones, and other N-heterocycles <i>via</i> decarboxylative oxidative annulation reaction
  作者：Mayavan Viji、Manjunatha Vishwanath、Jaeuk Sim、Yunjeong Park、Chanhyun Jung、Seohu Lee、Heesoon Lee、Kiho Lee、Jae-Kyung Jung

  DOI：10.1039/d0ra07093a

  日期：——

  and efficient procedure for the synthesis of pyrrolo[1,2-a]quinoxalines, quinazolinones, and indolo[1,2-a]quinoxaline has been developed. The key features of our method include the in situ generation of aldehyde from α-hydroxy acid in the presence of TBHP (tert-butyl hydrogen peroxide), and further condensation with various amines, followed by intramolecular cyclization and subsequent oxidation to afford

  开发了一种无金属且有效的合成吡咯并[1,2- a ]喹喔啉、喹唑啉酮和吲哚[1,2- a ]喹喔啉的方法。该方法的主要特点包括在 TBHP（叔丁基过氧化氢）存在下，由 α-羟基酸原位生成醛，并与各种胺进一步缩合，然后进行分子内环化和随后的氧化，得到相应的喹喔啉、喹唑啉酮衍生物，产率中等至高。
• Compounds for Modulating TRPV3 Function
  申请人：Chong Jayhong A.

  公开号：US20110144135A1

  公开（公告）日：2011-06-16

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

  本申请涉及化合物和用于治疗与TRPV3相关的疼痛和其他病症的方法。
• COMPOUNDS FOR MODULATING TRPV3 FUNCTION
  申请人：HYDRA BIOSCIENCES, INC.

  公开号：US20140155417A1

  公开（公告）日：2014-06-05

  The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

  本申请涉及化合物和治疗与TRPV3相关的疼痛和其他疾病的方法。