6-methyl-2-(4-methylphenylamino)-4-chloropyrimidine | 23497-37-2

• 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: 6-methyl-2-(4-methylphenylamino)-4-chloropyrimidine
• 英文别名: (4-chloro-6-methyl-pyrimidin-2-yl)-p-tolyl-amine；(4-Chlor-6-methyl-pyrimidin-2-yl)-p-tolyl-amin；4-chloro-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
• CAS: 23497-37-2
• 化学式: C₁₂H₁₂ClN₃
• mdl: MFCD10618862
• 分子量: 233.7
• InChiKey: CQKDAWIOTQFHPZ-UHFFFAOYSA-N

物化性质

• 熔点：
  104-106 °C
• 沸点：
  393.9±44.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methyl-2-(4-methylphenylamino)-4-chloropyrimidine 、 N,N-二乙基乙二胺 生成 N⁴-(2-diethylamino-ethyl)-6-methyl-N²-p-tolyl-pyrimidine-2,4-diyldiamine
  参考文献：
  名称：

  71.合成抗疟药。第四部分 2-苯基胍基-4-氨基烷基氨基-6-甲基嘧啶

  摘要：

  DOI：

  10.1039/jr9460000362
• 作为产物：
  描述：

  6-methyl-2-(4-methylphenylamino)pyrimidin-4(3H)-one 在 三氯氧磷 作用下， 反应 1.0h， 以72%的产率得到6-methyl-2-(4-methylphenylamino)-4-chloropyrimidine
  参考文献：
  名称：

  Synthesis and antimicobacterial activity of 2-substituted 4-arylamino-6-methylpyrimidines

  摘要：

  2-Substituted 4-arylamino-6-methylpyrimidines were synthesized by stepwise modification of the structure of 6-methyl-2-thiouracyl through the intermediate 2-(ar)alkylthio-6-methyl-4-chloropyrimidines. Some of the compounds synthesized exhibit expressed antimycobacterial activity.

  DOI：

  10.1134/s1070363208100216

文献信息

• Synthesis, antimalarial activity, heme binding and docking studies of 4-aminoquinoline–pyrimidine based molecular hybrids
  作者：Deepak Kumar、Shabana I. Khan、Babu L. Tekwani、Prija Ponnan、Diwan S. Rawat

  DOI：10.1039/c4ra09768h

  日期：——

  A series of novel 4-aminoquinoline–pyrimidine hybrids was synthesized and evaluated for their antimalarial activity.

  一系列新颖的4-氨基喹啉-嘧啶杂合物被合成并评估其抗疟活性。
• 71. Synthetic antimalarials. Part IV. 2-Phenylguanidino-4-aminoalkylamino-6-methylpyrimidines
  作者：F. H. S. Curd、F. L. Rose

  DOI：10.1039/jr9460000362

  日期：——
• Synthesis and antimicobacterial activity of 2-substituted 4-arylamino-6-methylpyrimidines
  作者：A. V. Erkin、V. I. Krutikov、E. B. Smirnova

  DOI：10.1134/s1070363208100216

  日期：2008.10

  2-Substituted 4-arylamino-6-methylpyrimidines were synthesized by stepwise modification of the structure of 6-methyl-2-thiouracyl through the intermediate 2-(ar)alkylthio-6-methyl-4-chloropyrimidines. Some of the compounds synthesized exhibit expressed antimycobacterial activity.